Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 7/20 | 0.43 |
| ▸ | CTSS | P25774 | 7/20 | 0.43 |
| ▸ | CTSB | P07858 | 6/20 | 0.43 |
| ▸ | CTSK | P43235 | 6/20 | 0.43 |
| ▸ | CCR6 | P51684 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | CETP | P11597 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6183074 | 0.81 | CTSS (0.54) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL854095 | 0.80 | CTSL (0.53) | ALDH1A1MAPK1TDP1L3MBTL1CTSL | |
| SCHEMBL6182057 | 0.80 | CTSL (0.47) | ALDH1A1CTSLCTSSCTSBCTSK | |
| SCHEMBL7509783 | 0.79 | CTSS (0.50) | ALDH1A1MAPK1L3MBTL1CTSLCTSS | |
| SCHEMBL6185598 | 0.79 | CTSS (0.50) | ALDH1A1MAPK1L3MBTL1CTSLCTSS | |
| SCHEMBL12013715 | 0.79 | ALDH1A1 (0.51) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL7557226 | 0.78 | CTSS (0.46) | ALDH1A1CTSLCTSSCTSBCTSK | |
| SCHEMBL6184235 | 0.78 | CTSL (0.45) | CTSLCTSSCTSBCTSK | |
| SCHEMBL5528477 | 0.78 | CTSL (0.49) | ALDH1A1TSHRCTSLCTSSCTSB | |
| SCHEMBL27990536 | 0.77 | CCR6 (0.66) | ALDH1A1CYP3A4TSHRMAPK1TDP1 |
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 5 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 |
| US-20020086996-A1 | Novel compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2002-07-04 | — | — | US | 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 | ALDH1A1 4049/4885CYP3A4 1185/4885TSHR 4863/4885 |
| US-20030119788-A1 | Novel compounds and compositions as protease inhibitors | CTRL, SERPINB1, CPN1 | ALDH1A1 4049/4885CYP3A4 1185/4885TSHR 4863/4885 |
“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.