Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.50 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.50 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | PLK1 | P53350 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL10444731 | 0.75 | CYP3A4 (0.55) | CYP3A4TDP1ALDH1A1TSHRHPGD | |
| SCHEMBL7819749 | 0.71 | ALDH1A1 (0.82) | CYP3A4TDP1ALDH1A1TSHRHPGD | |
| SCHEMBL10444468 | 0.70 | CYP3A4 (0.45) | CYP3A4TDP1ALDH1A1TSHRHPGD | |
| SCHEMBL9730621 | 0.70 | CYP3A4 (0.47) | CYP3A4TDP1ALDH1A1TSHRHPGD | |
| SCHEMBL10444826 | 0.70 | ALDH1A1 (0.48) | CYP3A4TDP1ALDH1A1TSHRHPGD | |
| SCHEMBL10654236 | 0.69 | CYP3A4 (0.50) | CYP3A4TDP1ALDH1A1TSHRHPGD | |
| SCHEMBL9526043 | 0.69 | TDP1 (0.50) | CYP3A4TDP1ALDH1A1TSHRHPGD | |
| SCHEMBL29805021 | 0.69 | CYP3A4 (0.68) | CYP3A4TDP1ALDH1A1TSHRHPGD | |
| SCHEMBL1531127 | 0.69 | CYP3A4 (0.68) | CYP3A4TDP1ALDH1A1TSHRHPGD | |
| SCHEMBL9530253 | 0.69 | GABRB3 (0.40) | CDK4CCND1GABRB3 |
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-0257296-B1 | 4-CYANO(NITRO)-5-OXY(THIO)-PYRAZOLE DERIVATIVES | BAYER AG (DE) | 1993-05-12 | — | — | EP | disclosed |
| US-4770692-A | 4-cyano(nitro)-5-oxy(thio)-pyrazole derivatives, composition containing them, and herbicidal and plant growth regulating methods of using them | BAYER AKTIENGESELLSCHAFT (DE) | 1988-09-13 | — | — | US | disclosed |
| EP-0257296-A1 | 4-Cyano(nitro)-5-oxy(thio)-pyrazole derivatives | BAYER AG (DE) | 1988-03-02 | — | — | EP | disclosed |