Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APLNR | P35414 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 14/20 | 0.38 |
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL5809252 | 0.81 | CTSK (0.46) | CTSKCTSSCA1CA7CA2 | |
| SCHEMBL2681437 | 0.74 | CTSK (0.43) | APLNRCTSKCTSSCA1CA7 | |
| SCHEMBL8543748 | 0.74 | CTSK (0.43) | APLNRCTSKCTSSCA1CA7 | |
| SCHEMBL2681435 | 0.74 | CTSK (0.43) | APLNRCTSKCTSSCA1CA7 | |
| SCHEMBL8041100 | 0.73 | CA1 (0.55) | CTSKCTSSCA1CA7CA2 | |
| SCHEMBL15247712 | 0.72 | CTSK (0.49) | CTSKCTSSCA1CA7CA2 | |
| SCHEMBL12011309 | 0.72 | CA1 (0.44) | APLNRCTSKCTSSCA1CA7 | |
| SCHEMBL5154942 | 0.71 | CA1 (0.53) | CTSKCTSSCA1CA7CA2 | |
| SCHEMBL20583908 | 0.71 | APLNR (0.46) | APLNRCTSKCTSSCA1CA7 | |
| SCHEMBL27859377 | 0.71 | CTSK (0.48) | APLNRCTSKCTSSCTSLCTSB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5563156-A | ANTICOAGULANTS, ANTIASTHMA AGENTS | MERRELL PHARMACEUTICALS INC. (US) | 1996-10-08 | — | — | US | disclosed |
| US-5498779-A | ANTICOAGULANTS AND TREATMENT OF ASTHMA | MERRELL PHARMACEUTICALS INC. (US) | 1996-03-12 | — | — | US | disclosed |
| US-5391705-A | Anticoagulants, treats thrombophlebitis, coronary thrombosis and asthma | MERRELL DOW PHARMACEUTICALS INC. (US) | 1995-02-21 | — | — | US | disclosed |
| EP-0504064-A1 | Novel thrombin inhibitors | MERRELL PHARMACEUTICALS INC. (US) | 1992-09-16 | — | — | EP | disclosed |