Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.57 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.57 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | BCR | P11274 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8966236 | 0.91 | ESR1 (0.53) | ESR1ESR2HTR2AHRH1NPC1 | |
| SCHEMBL7534293 | 0.90 | ESR1 (0.47) | ESR1ESR2HTR2AHRH1NPC1 | |
| SCHEMBL17765458 | 0.90 | ESR1 (0.48) | ESR1ESR2HTR2AHRH1NPC1 | |
| SCHEMBL8966375 | 0.87 | ESR1 (0.46) | ESR1ESR2NPC1PDE4DTP53 | |
| SCHEMBL7527912 | 0.86 | ESR1 (0.46) | ESR1ESR2NPC1TP53RAB9A | |
| SCHEMBL7535540 | 0.85 | ESR1 (0.47) | ESR1ESR2HTR2AHRH1NPC1 | |
| SCHEMBL17765439 | 0.82 | HPGD (0.48) | ESR1ESR2NPC1TP53MAPT | |
| SCHEMBL7527845 | 0.82 | ESR1 (0.45) | ESR1ESR2HTR2AHRH1NPC1 | |
| SCHEMBL7523887 | 0.81 | ESR1 (0.44) | ESR1ESR2HTR2AHRH1NPC1 | |
| SCHEMBL7531367 | 0.81 | ESR1 (0.44) | ESR1ESR2HTR2AHRH1NPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0524742-B1 | Benzo(a)fluorene compounds | LILLY CO ELI (US) | 1996-02-28 | — | — | EP | disclosed |
| EP-0524742-A2 | Benzo(a)fluorene compounds | ELI LILLY AND COMPANY (US) | 1993-01-27 | — | — | EP | disclosed |
| US-5147880-A | Estrogenic and antiestrogenic activity | ELI LILLY AND COMPANY (US) | 1992-09-15 | — | — | US | disclosed |