Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 16/20 | 0.50 |
| ▸ | ESR1 | P03372 | 16/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 16/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9077109 | 0.84 | ESR1 (0.49) | ESR1ESR2CYP3A4 | |
| SCHEMBL20806916 | 0.82 | CYP19A1 (0.66) | CYP19A1ESR1ESR2CYP1A2CYP3A4 | |
| SCHEMBL7503318 | 0.82 | MMP2 (0.58) | ESR1ESR2CYP3A4GAAMMP2 | |
| SCHEMBL7738182 | 0.81 | ESR1 (0.64) | ESR1ESR2CYP3A4CYP2D6 | |
| SCHEMBL3092657 | 0.80 | ESR1 (0.65) | ESR1ESR2CYP3A4CYP2D6 | |
| SCHEMBL8458979 | 0.80 | NPC1 (0.55) | ESR1ESR2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7495907 | 0.80 | NPC1 (0.55) | ESR1ESR2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7748492 | 0.79 | ESR1 (0.49) | ESR1ESR2 | |
| SCHEMBL8594877 | 0.79 | ESR1 (0.48) | CYP19A1ESR1 | |
| SCHEMBL8458268 | 0.78 | NPC1 (0.56) | ESR2CYP1A2CYP3A4CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0979075-A4 | A REGIOSELECTIVE ALKYLATION PROCESS FOR PREPARING SUBSTITUTED BENZO b]THIOPHENES | LILLY CO ELI (US) | 2002-07-24 | — | — | EP | disclosed |
| EP-0979075-A1 | A REGIOSELECTIVE ALKYLATION PROCESS FOR PREPARING SUBSTITUTED BENZO b]THIOPHENES | ELI LILLY AND COMPANY (US) | 2000-02-16 | — | — | EP | disclosed |
| WO-1998048792-A1 | A REGIOSELECTIVE ALKYLATION PROCESS FOR PREPARING SUBSTITUTED BENZO[b]THIOPHENES | ELI LILLY AND COMPANY (US) | 1998-11-05 | — | — | WO | disclosed |
| WO-1998022456-A1 | PROCESS FOR THE SYNTHESIS OF BENZOTHIOPHENES | ELI LILLY AND COMPANY (US) | 1998-05-28 | — | — | WO | disclosed |