Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.34 |
| ▸ | TRPV6 | Q9H1D0 | 2/20 | 0.33 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.33 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.33 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | PDE2A | O00408 | 4/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10984883 | 0.86 | CCR6 (0.35) | CYP3A4CYP17A1PDE2APOLB | |
| SCHEMBL10872634 | 0.84 | CA1 (0.32) | CYP3A4CYP3A5TRPV6ORAI1ORAI2 | |
| SCHEMBL10361168 | 0.81 | KDM4E (0.32) | CYP3A4CYP3A5CA1CA2KDM4E | |
| SCHEMBL10872520 | 0.73 | CYP19A1 (0.33) | CYP3A4CYP17A1 | |
| SCHEMBL10980353 | 0.73 | CYP19A1 (0.42) | CYP3A4CYP3A5CYP17A1KDM4E | |
| SCHEMBL10360755 | 0.70 | CYP3A4 (0.34) | CYP3A4CYP3A5AHRCYP17A1PDE2A | |
| SCHEMBL11221170 | 0.69 | — | — | |
| SCHEMBL4953035 | 0.68 | — | — | |
| SCHEMBL11141011 | 0.68 | CASR (0.38) | CYP3A4CYP17A1 | |
| SCHEMBL10872968 | 0.68 | CYP19A1 (0.34) | CYP3A4CYP17A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0158448-A2 | Azolyl propanols | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-10-16 | — | — | EP | claimed |
| EP-0158448-B1 | AZOLYL PROPANOLS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-08-29 | — | — | EP | disclosed |
| US-4833159-A | FUNGICIDES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-05-23 | — | — | US | disclosed |
| US-4689337-A | 1,2,4-TRIAZOLYL AND PYRAZOLYL GROUPS; FUNGICIDES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-08-25 | — | — | US | disclosed |
| EP-0158448-A2 | Azolyl propanols | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-10-16 | — | — | EP | disclosed |