Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.49 |
| ▸ | RAB9A | P51151 | 8/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | EIF4E | P06730 | 1/20 | 0.45 |
| ▸ | CTSS | P25774 | 4/20 | 0.43 |
| ▸ | CTSB | P07858 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | CTSK | P43235 | 3/20 | 0.43 |
| ▸ | CTSL | P07711 | 3/20 | 0.42 |
| ▸ | CTSV | O60911 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6183458 | 0.80 | CTSB (0.63) | NPC1RAB9ASMN1; SMN2KDM4EMAPT | |
| SCHEMBL6185266 | 0.79 | RAB9A (0.46) | NPC1RAB9ASMN1; SMN2KDM4EMAPT | |
| SCHEMBL6183464 | 0.78 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2KDM4EMAPT | |
| SCHEMBL6185252 | 0.76 | RAB9A (0.48) | NPC1RAB9ASMN1; SMN2KDM4EMAPT | |
| SCHEMBL6182545 | 0.74 | CTSB (0.75) | CTSSCTSBCTSKCTSL | |
| SCHEMBL7515230 | 0.74 | CTSB (0.52) | NPC1RAB9ASMN1; SMN2KDM4EMAPT | |
| SCHEMBL7059979 | 0.73 | RAB9A (0.47) | NPC1RAB9ASMN1; SMN2KDM4EMAPT | |
| SCHEMBL6182002 | 0.73 | RAB9A (0.51) | NPC1RAB9ASMN1; SMN2KDM4EMAPT | |
| SCHEMBL6184479 | 0.72 | CTSB (0.62) | NPC1RAB9ASMN1; SMN2KDM4EMAPT | |
| SCHEMBL6181999 | 0.71 | RAB9A (0.49) | NPC1RAB9ASMN1; SMN2KDM4EMAPT |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001068645-A2 | N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-09-20 | — | — | WO | claimed |
| EP-1161415-B1 | N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS | AXYS PHARM INC (US) | 2005-07-13 | — | — | EP | disclosed |
| US-6593327-B2 | N-cyanomethyl amides which are cysteine protease inhibitors; treating osteoporosis; mixtures with bisphosphonates | AXYS PHARMACEUTICALS, INC. | 2003-07-15 | — | — | US | disclosed |
| US-20030119788-A1 | Novel compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2003-06-26 | — | — | US | disclosed |
| US-6476026-B1 | Compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. | 2002-11-05 | — | — | US | disclosed |
| US-20020086996-A1 | Novel compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2002-07-04 | — | — | US | disclosed |
| EP-1161415-A2 | N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-12-12 | — | — | EP | disclosed |
| WO-2001068645-A2 | N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-09-20 | — | — | WO | disclosed |
| WO-2000055126-A2 | N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2000-09-21 | — | — | 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 (2 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-20020086996-A1 | Novel compounds and compositions as protease inhibitors | CTRL, SERPINB1, CPN1 | NPC1 545/4885RAB9A 2240/4885SMN1; SMN2 3462/4885 |
| US-20030119788-A1 | Novel compounds and compositions as protease inhibitors | CTRL, SERPINB1, CPN1 | NPC1 545/4885RAB9A 2240/4885SMN1; SMN2 3462/4885 |
“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.