Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 6/20 | 0.50 |
| ▸ | ROCK1 | Q13464 | 6/20 | 0.50 |
| ▸ | CTSL | P07711 | 8/20 | 0.47 |
| ▸ | CTSK | P43235 | 8/20 | 0.47 |
| ▸ | CTSS | P25774 | 7/20 | 0.47 |
| ▸ | CTSB | P07858 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6185021 | 0.92 | MEN1 (0.52) | ROCK1CTSLCTSKCTSSCTSB | |
| SCHEMBL7439002 | 0.87 | ROCK2 (0.50) | ROCK2ROCK1CTSLCTSKCTSS | |
| SCHEMBL6181829 | 0.86 | MEN1 (0.52) | CTSLCTSKCTSSCTSBMAPT | |
| SCHEMBL6180116 | 0.84 | CTSK (0.56) | CTSLCTSKCTSSCTSBMEN1 | |
| SCHEMBL6183760 | 0.82 | CTSL (0.49) | CTSLCTSKCTSSCTSB | |
| SCHEMBL6181675 | 0.82 | HDAC3 (0.44) | CTSLCTSKCTSSCTSBMAPT | |
| SCHEMBL7433934 | 0.81 | MAPT (0.58) | ROCK1MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL7433950 | 0.81 | MAPT (0.58) | ROCK1MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL6180663 | 0.80 | CTSL (0.56) | ROCK2ROCK1CTSLCTSKCTSS | |
| SCHEMBL6182516 | 0.79 | MAPT (0.56) | MAPTMEN1KMT2AALDH1A1HTT |
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 6 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 |
| WO-2001068645-A2 | N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-09-20 | — | — | 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 (1 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-20030119788-A1 | Novel compounds and compositions as protease inhibitors | CTRL, SERPINB1, CPN1 | ROCK2 2493/4885ROCK1 1810/4885CTSL 14/4885 |
“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.