Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | FDPS | P14324 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.33 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.33 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9770832 | 0.81 | CYP3A4 (0.51) | CYP3A4ALDH1A1FDPSHSP90AA1CYP2C9 | |
| SCHEMBL10719125 | 0.81 | FDPS (0.40) | CYP3A4ALDH1A1FDPSHSP90AA1TSHR | |
| SCHEMBL9770722 | 0.81 | CYP3A4 (0.54) | CYP3A4ALDH1A1FDPSHSP90AA1CYP2C9 | |
| SCHEMBL1064062 | 0.79 | CYP3A4 (0.57) | CYP3A4ALDH1A1FDPSHSP90AA1TSHR | |
| SCHEMBL9770663 | 0.78 | CYP3A4 (0.58) | CYP3A4ALDH1A1FDPSHSP90AA1CYP2C9 | |
| SCHEMBL9815607 | 0.78 | CYP3A4 (0.58) | CYP3A4ALDH1A1FDPSHSP90AA1CYP2C9 | |
| SCHEMBL10332942 | 0.78 | CYP3A4 (0.44) | CYP3A4ALDH1A1FDPSHSP90AA1CYP2C9 | |
| SCHEMBL9770569 | 0.78 | CYP3A4 (0.60) | CYP3A4ALDH1A1FDPSHSP90AA1CYP2C9 | |
| SCHEMBL9770713 | 0.77 | CYP3A4 (0.59) | CYP3A4ALDH1A1FDPSHSP90AA1TSHR | |
| SCHEMBL9770589 | 0.76 | CYP3A4 (0.55) | CYP3A4ALDH1A1FDPSHSP90AA1CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0223327-B1 | TRIAZOLYLMETHYL-TERT.-BUTYL-CARBINOL DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PLANT GROWTH REGULATORS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-10-16 | — | — | EP | disclosed |
| US-4999043-A | Triazolylmethyl tert-butyl carbinol derivatives which have plant growth regulating properties | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-03-12 | — | — | US | disclosed |