Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 14/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | BLM | P54132 | 3/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.44 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.44 |
| ▸ | PGR | P06401 | 2/20 | 0.44 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | AR | P10275 | 2/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | VDR | P11473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8980169 | 1.00 | CYP19A1 (0.68) | CYP19A1SMN1; SMN2ALDH1A1MAPK1BLM | |
| SCHEMBL42713 | 0.81 | CYP19A1 (1.00) | CYP19A1SMN1; SMN2ALDH1A1MAPK1BLM | |
| SCHEMBL42712 | 0.81 | CYP19A1 (1.00) | CYP19A1SMN1; SMN2ALDH1A1MAPK1BLM | |
| SCHEMBL2600419 | 0.81 | CYP19A1 (1.00) | CYP19A1SMN1; SMN2ALDH1A1MAPK1BLM | |
| SCHEMBL1900489 | 0.81 | CYP19A1 (0.70) | CYP19A1SMN1; SMN2ALDH1A1MAPK1BLM | |
| SCHEMBL1900487 | 0.81 | CYP19A1 (0.70) | CYP19A1SMN1; SMN2ALDH1A1MAPK1BLM | |
| SCHEMBL8760343 | 0.81 | SHBG (0.67) | CYP19A1SMN1; SMN2ALDH1A1MAPK1BLM | |
| SCHEMBL8760349 | 0.81 | SHBG (0.67) | CYP19A1SMN1; SMN2ALDH1A1MAPK1BLM | |
| SCHEMBL6821320 | 0.80 | CYP19A1 (0.78) | CYP19A1SMN1; SMN2ALDH1A1MAPK1BLM | |
| SCHEMBL7097095 | 0.80 | CYP19A1 (0.78) | CYP19A1SMN1; SMN2ALDH1A1MAPK1BLM |
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-5519051-A | AROMATASE INHIBITORS USEFUL FOR TREATMENT OF DISEASES CAUSED BY EXCESS OF ESTROGEN, FOR EXAMPLE, BREAST CANCER, UTERINE CANCER | TEIKOKU HORMONE MFG. CO., LTD. (JP) | 1996-05-21 | — | — | US | disclosed |
| EP-0582713-A1 | NOVEL OXA- OR AZASTEROID DERIVATIVE | TEIKOKU HORMONE MFG. CO., LTD. (JP) | 1994-02-16 | — | — | EP | disclosed |