Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10843668 | 0.94 | CYP3A4 (0.50) | CYP3A4CYP2C9THRBCYP1A2CYP2D6 | |
| SCHEMBL9834680 | 0.89 | CYP3A4 (0.46) | CYP3A4CYP2C9THRBCYP1A2CYP2D6 | |
| SCHEMBL9833161 | 0.82 | CYP3A4 (0.50) | CYP3A4CYP2C9THRBCYP1A2CYP2D6 | |
| SCHEMBL9833758 | 0.81 | CYP3A4 (0.46) | CYP3A4CYP2C9THRBCYP1A2CYP2D6 | |
| SCHEMBL10845394 | 0.77 | CYP3A4 (0.43) | CYP3A4CYP2C9THRBCYP1A2CYP2D6 | |
| SCHEMBL12095527 | 0.76 | CYP3A4 (0.44) | CYP3A4CYP2C9THRBCYP1A2CYP2D6 | |
| SCHEMBL8815519 | 0.74 | CYP3A4 (0.61) | CYP3A4CYP2C9THRBCYP1A2CYP2D6 | |
| SCHEMBL8815515 | 0.74 | CYP3A4 (0.61) | CYP3A4CYP2C9THRBCYP1A2CYP2D6 | |
| SCHEMBL10505150 | 0.71 | CYP3A4 (0.51) | CYP3A4CYP2C9THRBCYP1A2CYP2D6 | |
| SCHEMBL9201668 | 0.70 | CYP3A4 (0.62) | CYP3A4CYP2C9THRBCYP1A2CYP2D6 |
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-0133248-B1 | 1,2,4-TRIAZOL-1-YL-DERIVATIVES | SHIONOGI & CO., LTD. (JP) | 1991-11-21 | — | — | EP | claimed |
| EP-0133248-B1 | 1,2,4-TRIAZOL-1-YL-DERIVATIVES | SHIONOGI & CO., LTD. (JP) | 1991-11-21 | — | — | EP | disclosed |
| US-4612322-A | FUNGICIDES | SHIONOGI & CO., LTD. (JP) | 1986-09-16 | — | — | US | disclosed |
| EP-0133248-A2 | 1,2,4-Triazol-1-yl-derivatives | SHIONOGI & CO., LTD. (JP) | 1985-02-20 | — | — | EP | disclosed |