Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.32 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 2/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11053349 | 0.82 | CYP2D6 (0.44) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL13804167 | 0.82 | CYP2D6 (0.37) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL17344466 | 0.82 | TSHR (0.38) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL8724713 | 0.81 | HDAC3 (0.35) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL27291946 | 0.81 | CYP2D6 (0.36) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL7411881 | 0.81 | CYP2D6 (0.36) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL28043657 | 0.81 | CYP2D6 (0.36) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL5992371 | 0.81 | MAPT (0.42) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL27603782 | 0.81 | CYP2D6 (0.36) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL27622388 | 0.81 | CYP2D6 (0.36) | CYP2D6HDAC3HDAC1HDAC2HDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| CN-1362947-A | N-cyanomethylamides as protease inhibitors | AXYS PHARM INC (US) | 2002-08-07 | — | — | CN | 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 | CYP2D6 2686/4885HDAC3 330/4885HDAC1 382/4885 |
| US-20030119788-A1 | Novel compounds and compositions as protease inhibitors | CTRL, SERPINB1, CPN1 | CYP2D6 2686/4885HDAC3 330/4885HDAC1 382/4885 |
“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.