Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | SIRT3 | Q9NTG7 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MPO | P05164 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.32 |
| ▸ | CCNC | P24863 | 1/20 | 0.32 |
| ▸ | CDK8 | P49336 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL28059053 | 0.81 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL19152161 | 0.78 | PARP1 (0.36) | PARP1CYP3A4CYP2C19SIRT3TDP1 | |
| SCHEMBL28329478 | 0.69 | — | — | |
| SCHEMBL7896199 | 0.69 | — | — | |
| SCHEMBL10384687 | 0.69 | — | — | |
| SCHEMBL27761986 | 0.67 | PARP1 (0.37) | ALDH1A1PARP1SIRT3TDP1KDM4E | |
| SCHEMBL3134031 | 0.65 | — | — | |
| SCHEMBL1505859 | 0.65 | BCHE (0.39) | ALDH1A1PARP1CYP3A4CYP2C19TDP1 | |
| SCHEMBL5030414 | 0.64 | FGFR1 (0.46) | ALDH1A1SMN1; SMN2PARP1CYP2C9SIRT3 | |
| SCHEMBL16197154 | 0.64 | SIRT3 (0.36) | ALDH1A1SMN1; SMN2PARP1CYP2C9SIRT3 |
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-1301493-A2 | HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS | PHARMACIA & UPJOHN COMPANY (US) | 2003-04-16 | — | — | EP | disclosed |
| WO-2002004444-A2 | HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS | PHARMACIA & UPJOHN COMPANY (US) | 2002-01-17 | — | — | WO | disclosed |