Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | FBP1 | P09467 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11341830 | 0.78 | NPC1 (0.53) | ALDH1A1GLATDP1RECQLALOX15 | |
| SCHEMBL11341834 | 0.78 | NPC1 (0.53) | ALDH1A1GLATDP1RECQLALOX15 | |
| SCHEMBL60234 | 0.77 | AKR1C3 (0.48) | ALDH1A1TSHRAKR1C3GLATDP1 | |
| SCHEMBL4960106 | 0.77 | F2 (0.41) | RECQL | |
| SCHEMBL3826924 | 0.71 | NPC1 (0.45) | ALDH1A1AKR1C3GLATDP1RECQL | |
| Hydrochloric Acid SCHEMBL27730029 | 0.70 | NPC1 (0.44) | ALDH1A1AKR1C3GLATDP1RECQL | |
| SCHEMBL94681 | 0.70 | ALDH1A1 (0.51) | ALDH1A1TSHRAKR1C3GLATDP1 | |
| SCHEMBL6208267 | 0.70 | ALDH1A1 (0.47) | ALDH1A1AKR1C3GLATDP1RECQL | |
| SCHEMBL10997564 | 0.69 | HTT (0.40) | ALDH1A1TSHRTDP1RECQLNPC1 | |
| SCHEMBL2264042 | 0.68 | KMT2A (0.48) | ALDH1A1TDP1RECQLNPC1RAB9A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1194428-B1 | HETEROARYL PROTEASE INHIBITORS AND DIAGNOSTIC IMAGING AGENTS | DIMENSIONAL PHARM INC (US) | 2003-09-17 | — | — | EP | claimed |
| US-6420397-B1 | Heteroaryl protease inhibitors and diagnostic imaging agents | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2002-07-16 | — | — | US | claimed |
| EP-1194428-A1 | HETEROARYL PROTEASE INHIBITORS AND DIAGNOSTIC IMAGING AGENTS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2002-04-10 | — | — | EP | claimed |
| WO-2001004117-A1 | HETEROARYL PROTEASE INHIBITORS AND DIAGNOSTIC IMAGING AGENTS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2001-01-18 | — | — | WO | claimed |
| EP-1036063-B1 | HETEROARYL AMINOGUANIDINES AND ALKOXYGUANIDINES AND THEIR USE AS PROTEASE INHIBITORS | ORTHO MCNEIL PHARM INC (US) | 2006-11-02 | — | — | EP | disclosed |
| US-7029654-B2 | Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors | ORTHO-MCNEIL PHARMACEUTICALS, INC. (US) | 2006-04-18 | — | — | US | disclosed |
| US-20040106633-A1 | Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2004-06-03 | — | — | US | disclosed |
| US-6706021-B2 | ANTICOAGULANT FOR CATHETERS, DIALYSIS MACHINES, SYRINGES, TUBES, BLOOD LINES AND STENTS; TRYPSIN-LIKE SERINE PROTEASES SUCH AS THROMBIN; 3-BENZYLSULFONYLAMINO-6-METHYL-1-((2-GUANIDINOOXYETHYL) AMINOCARBONYLMETHYL)-2-PYRIDINONE | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2004-03-16 | — | — | US | disclosed |
| US-20030225115-A1 | Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2003-12-04 | — | — | US | disclosed |
| EP-1194428-B1 | HETEROARYL PROTEASE INHIBITORS AND DIAGNOSTIC IMAGING AGENTS | DIMENSIONAL PHARM INC (US) | 2003-09-17 | — | — | EP | disclosed |
| US-6566379-B1 | As proteolytic enzyme inhibitors; thrombin inhibitors; for therapy of pancreatitis, thrombosis, ischemia, stroke, restenosis, emphysema or inflammation in a mammal | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2003-05-20 | — | — | US | disclosed |
| US-20030087921-A1 | Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2003-05-08 | — | — | US | disclosed |
| US-20020007070-A1 | Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors | LU TIANBAO (US) | 2002-01-17 | — | — | US | disclosed |
| US-6326492-B1 | ANTICOAGULANT | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2001-12-04 | — | — | US | disclosed |
| US-6245763-B1 | Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2001-06-12 | — | — | US | disclosed |
| WO-2001004117-A1 | HETEROARYL PROTEASE INHIBITORS AND DIAGNOSTIC IMAGING AGENTS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2001-01-18 | — | — | WO | disclosed |
| WO-2000073302-A1 | OXAZAHETEROCYCLES AS PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2000-12-07 | — | — | WO | disclosed |
| EP-1036063-A1 | HETEROARYL AMINOGUANIDINES AND ALKOXYGUANIDINES AND THEIR USE AS PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2000-09-20 | — | — | EP | disclosed |
| US-6037356-A | ANTICOAGULANTS; ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2000-03-14 | — | — | US | disclosed |
| WO-1999026926-A1 | HETEROARYL AMINOGUANIDINES AND ALKOXYGUANIDINES AND THEIR USE AS PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1999-06-03 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030225115-A1 | Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors | F9, PLG, F2R | ALDH1A1 3022/4885TSHR 609/4885AKR1C3 1690/4885 |
| US-20020007070-A1 | Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors | F9, PLG, PLAT | ALDH1A1 3012/4885TSHR 787/4885AKR1C3 1916/4885 |
| US-20030087921-A1 | Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors | F9, PLG, F2R | ALDH1A1 3022/4885TSHR 609/4885AKR1C3 1690/4885 |
| US-20040106633-A1 | Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors | F9, PLG, MMP9 | ALDH1A1 3044/4885TSHR 676/4885AKR1C3 1834/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.