Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 11/20 | 0.46 |
| ▸ | CTSS | P25774 | 9/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22866107 | 0.84 | CYP1A2 (0.55) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6650157 | 0.83 | CTSS (0.50) | CTSKCTSSCTSLCTSB | |
| SCHEMBL7855743 | 0.83 | CTSS (0.55) | CTSKCTSSCTSLCTSB | |
| SCHEMBL19944669 | 0.82 | CYP1A2 (0.52) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL24387320 | 0.81 | CYP1A2 (0.47) | CTSKCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL31251106 | 0.81 | CYP1A2 (0.47) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3414965 | 0.80 | CYP1A2 (0.51) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL18343731 | 0.79 | CYP1A2 (0.50) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28668862 | 0.78 | CYP1A2 (0.49) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28668864 | 0.78 | CYP1A2 (0.49) | CTSKCTSSCYP1A2CYP2C9CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1117652-B1 | TAN-1057 DERIVATIVES | BAYER HEALTHCARE AG (DE) | 2004-05-26 | — | — | EP | disclosed |
| US-6617332-B1 | Cyclic amidinourea derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 2003-09-09 | — | — | US | disclosed |