Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 19/20 | 0.88 |
| ▸ | ESR2 | Q92731 | 19/20 | 0.88 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.73 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.73 |
| ▸ | MEN1 | O00255 | 1/20 | 0.70 |
| ▸ | PLD2 | O14939 | 1/20 | 0.70 |
| ▸ | KDM1A | O60341 | 1/20 | 0.70 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.70 |
| ▸ | USP2 | O75604 | 1/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.70 |
| ▸ | C5 | P01031 | 1/20 | 0.70 |
| ▸ | LMNA | P02545 | 1/20 | 0.70 |
| ▸ | TP53 | P04637 | 1/20 | 0.70 |
| ▸ | FYN | P06241 | 1/20 | 0.70 |
| ▸ | PGR | P06401 | 1/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.70 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.70 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.70 |
| ▸ | MAPT | P10636 | 1/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL8598353 | 0.99 | ESR1 (0.89) | ESR1ESR2ENPP3ENPP1MEN1 | |
| SCHEMBL8598366 | 0.99 | ESR1 (0.89) | ESR1ESR2ENPP3ENPP1MEN1 | |
| SCHEMBL11554399 | 0.96 | ESR1 (0.88) | ESR1ESR2ENPP3ENPP1MEN1 | |
| SCHEMBL8597639 | 0.95 | ESR1 (0.80) | ESR1ESR2ENPP3ENPP1MEN1 | |
| SCHEMBL6595860 | 0.95 | ESR1 (0.96) | ESR1ESR2ENPP3ENPP1MEN1 | |
| SCHEMBL8599997 | 0.94 | ESR1 (0.81) | ESR1ESR2ENPP3ENPP1MEN1 | |
| SCHEMBL8935070 | 0.94 | ESR1 (0.81) | ESR1ESR2ENPP3ENPP1MEN1 | |
| SCHEMBL6663935 | 0.94 | ESR1 (0.98) | ESR1ESR2ENPP3ENPP1MEN1 | |
| SCHEMBL8601304 | 0.94 | ESR1 (0.77) | ESR1ESR2ENPP3ENPP1MEN1 | |
| SCHEMBL1665661 | 0.93 | ESR1 (1.00) | ESR1ESR2ENPP3ENPP1MEN1 |
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-0641791-B1 | NOVEL BENZOTHIOPHENE DERIVATIVE | TEIKOKU HORMONE MFG CO LTD (JP) | 1998-01-28 | — | — | EP | disclosed |
| US-5472962-A | Antiestrogenic agents | TEIKOKU HORMONE MFG. CO., LTD. (JP) | 1995-12-05 | — | — | US | disclosed |
| EP-0641791-A1 | NOVEL BENZOTHIOPHENE DERIVATIVE | TEIKOKU HORMONE MFG. CO., LTD. (JP) | 1995-03-08 | — | — | EP | disclosed |
| US-4133814-A | ANTITUMOR AGENTS | ELI LILLY AND COMPANY (US) | 1979-01-09 | — | — | US | disclosed |