Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.48 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.48 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.45 |
| ▸ | GABRP | O00591 | 1/20 | 0.42 |
| ▸ | GABRD | O14764 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10654236 | 0.86 | CYP3A4 (0.50) | CYP3A4ALDH1A1HPGDALOX15TSHR | |
| SCHEMBL7713416 | 0.85 | CYP3A4 (0.49) | CYP3A4ALDH1A1HPGDALOX15TSHR | |
| SCHEMBL10629780 | 0.83 | CYP3A4 (0.32) | CYP3A4ALDH1A1HPGDALOX15TSHR | |
| SCHEMBL10372469 | 0.80 | ALDH1A1 (0.41) | CYP3A4ALDH1A1HPGDALOX15TSHR | |
| SCHEMBL10731564 | 0.78 | ALDH1A1 (0.39) | CYP3A4ALDH1A1HPGDALOX15TSHR | |
| SCHEMBL9780208 | 0.76 | GABRA2 (0.42) | CYP3A4ALDH1A1HPGDALOX15TSHR | |
| SCHEMBL6978060 | 0.76 | GABRA2 (0.50) | GABRA2GABRB2GABRPGABRDGABRA1 | |
| SCHEMBL9780177 | 0.76 | GABRA2 (0.50) | GABRA2GABRB2GABRPGABRDGABRA1 | |
| SCHEMBL10584417 | 0.76 | MAPT (0.39) | CYP3A4ALDH1A1HPGDALOX15TSHR | |
| SCHEMBL22636507 | 0.75 | KEAP1 (0.51) | CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9 |
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-0200872-B1 | HERBICIDAL AND INSECTICIDAL AGENT BASED ON PYRAZOL DERIVATIVES | BAYER AG (DE) | 1990-04-18 | — | — | EP | disclosed |
| US-4746354-A | PRE- AND POSTEMERGENCE | BAYER AKTIENGESELLSCHAFT (DE) | 1988-05-24 | — | — | US | disclosed |
| EP-0200872-A1 | Herbicidal and insecticidal agent based on pyrazol derivatives | BAYER AG (DE) | 1986-11-12 | — | — | EP | disclosed |