Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.38 |
| ▸ | ESR1 | P03372 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.36 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.35 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18027618 | 0.98 | CYP2A6 (0.42) | CYP2A6ESR2ESR1CYP3A4CYP2C19 | |
| SCHEMBL92960 | 0.94 | CYP2A6 (0.42) | CYP2A6ESR2ESR1CYP3A4CYP2C19 | |
| SCHEMBL92955 | 0.94 | CYP2A6 (0.42) | CYP2A6ESR2ESR1CYP3A4CYP2C19 | |
| SCHEMBL10820285 | 0.94 | CYP2A6 (0.42) | CYP2A6ESR2ESR1CYP3A4CYP2C19 | |
| SCHEMBL10820283 | 0.90 | ESR1 (0.49) | CYP2A6ESR2ESR1CYP3A4CYP2C19 | |
| SCHEMBL16533021 | 0.88 | CYP2A6 (0.46) | CYP2A6ESR2ESR1CYP3A4CYP2C19 | |
| SCHEMBL498545 | 0.88 | CYP2A6 (0.47) | CYP2A6ESR2CYP3A4CYP2C19CYP2B6 | |
| SCHEMBL92957 | 0.86 | CYP2A6 (0.35) | CYP2A6ESR2ESR1 | |
| SCHEMBL12445155 | 0.86 | CYP2A6 (0.45) | CYP2A6ESR2CYP3A4CYP2C19CYP2B6 | |
| SCHEMBL19165108 | 0.86 | CYP2A6 (0.45) | CYP2A6ESR2CYP3A4CYP2C19CYP2B6 |
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-7837903-B2 | Polythiophenes and electronic devices comprising the same | XEROX CORPORATION (US) | 2010-11-23 | — | — | US | disclosed |
| US-20100140555-A1 | POLYTHIOPHENES AND ELECTRONIC DEVICES COMPRISING THE SAME | XEROX CORPORATION (US) | 2010-06-10 | — | — | US | disclosed |