Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8080590 | 0.89 | ALDH1A1 (0.36) | KDRALDH1A1CYP1A2CYP2C9ELANE | |
| SCHEMBL859822 | 0.78 | ALDH1A1 (0.47) | KDRALDH1A1CYP1A2CYP2C9ELANE | |
| SCHEMBL29838651 | 0.78 | ALDH1A1 (0.47) | KDRALDH1A1CYP1A2CYP2C9ELANE | |
| SCHEMBL8087952 | 0.75 | ALDH1A1 (0.51) | ALDH1A1CYP1A2 | |
| SCHEMBL8088866 | 0.75 | ALDH1A1 (0.48) | ALDH1A1CYP1A2 | |
| SCHEMBL5865397 | 0.74 | NPC1 (0.50) | KDRALDH1A1CES1 | |
| SCHEMBL13814011 | 0.71 | CA9 (0.49) | ALDH1A1 | |
| SCHEMBL8080584 | 0.70 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C9CES1 | |
| SCHEMBL8088825 | 0.70 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C9CES1 | |
| SCHEMBL8080588 | 0.70 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C9CES1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6160128-A | Tritioacetylating reagents and processes for preparation thereof | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2000-12-12 | — | — | US | claimed |
| US-6160128-A | Tritioacetylating reagents and processes for preparation thereof | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2000-12-12 | — | — | US | disclosed |