Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 4/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7593284 | 1.00 | ESR1 (0.33) | ESR1TSHRCYP3A4HPGDALDH1A1 | |
| SCHEMBL3162590 | 0.87 | — | — | |
| SCHEMBL3162585 | 0.87 | — | — | |
| SCHEMBL17217505 | 0.85 | ESR1 (0.40) | ESR1TSHRCYP3A4HPGDALDH1A1 | |
| SCHEMBL17216728 | 0.85 | ESR1 (0.36) | ESR1TSHRCYP3A4HPGDALDH1A1 | |
| SCHEMBL13261697 | 0.85 | ESR1 (0.40) | ESR1TSHRCYP3A4HPGDALDH1A1 | |
| SCHEMBL20732858 | 0.83 | ESR1 (0.39) | ESR1TSHRADRB2ADRB1ADRB3 | |
| SCHEMBL7592247 | 0.83 | — | — | |
| SCHEMBL7592248 | 0.83 | — | — | |
| SCHEMBL9228964 | 0.81 | TSHR (0.38) | TSHR |
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-0915853-B1 | SUBSTITUTED 3-PHENYL PYRAZOLES | BASF AG (DE) | 2002-11-06 | — | — | EP | disclosed |
| US-6197973-B1 | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2001-03-06 | — | — | US | disclosed |
| EP-0915853-A1 | SUBSTITUTED 3-PHENYL PYRAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 1999-05-19 | — | — | EP | disclosed |
| WO-1998005649-A1 | SUBSTITUTED 3-PHENYL PYRAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 1998-02-12 | — | — | WO | disclosed |