Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL9980215 | 0.93 | CYP1A2 (0.39) | ESR1ESR2CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL14985614 | 0.89 | ESR1 (0.41) | ESR1ESR2CYP1A2CYP2A6KDM4E | |
| SCHEMBL14985621 | 0.86 | ESRRB (0.36) | CYP1A2CYP2A6KDM4EALDH1A1LMNA | |
| SCHEMBL15463301 | 0.86 | CYP1A2 (0.35) | CYP1A2CYP2A6GAA | |
| SCHEMBL15463302 | 0.86 | ESRRB (0.36) | CYP1A2CYP2A6KDM4ELMNA | |
| SCHEMBL15368412 | 0.86 | GAA (0.33) | CYP1A2CYP2A6KDM4EALDH1A1LMNA | |
| SCHEMBL15500326 | 0.84 | DHODH (0.36) | CYP1A2CYP2A6KDM4EALDH1A1LMNA | |
| SCHEMBL9980283 | 0.80 | ESRRB (0.39) | CYP1A2CYP2A6KDM4EALDH1A1LMNA | |
| SCHEMBL2757073 | 0.80 | CYP1A2 (0.39) | CYP1A2CYP2A6KDM4EALDH1A1LMNA | |
| SCHEMBL2756786 | 0.80 | ESR1 (0.35) | ESR1ESR2CYP1A2CYP2A6KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3002281-A1 | ANTIVIRAL COMPOUNDS | Gilead Pharmasset LLC (US) | 2016-04-06 | — | — | EP | disclosed |