Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 15/20 | 0.55 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | FYN | P06241 | 2/20 | 0.43 |
| ▸ | CYP51A1 | Q16850 | 2/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9302602 | 1.00 | CYP3A4 (0.55) | CYP3A4THRBCYP2C9KDM4ELMNA | |
| SCHEMBL8815519 | 0.86 | CYP3A4 (0.61) | CYP3A4THRBCYP2C9KDM4ELMNA | |
| SCHEMBL8815515 | 0.86 | CYP3A4 (0.61) | CYP3A4THRBCYP2C9KDM4ELMNA | |
| SCHEMBL9303287 | 0.82 | CYP3A4 (0.57) | CYP3A4THRBCYP2C9KDM4ELMNA | |
| SCHEMBL9522057 | 0.82 | CYP3A4 (0.57) | CYP3A4THRBCYP2C9KDM4ELMNA | |
| SCHEMBL9303282 | 0.82 | CYP3A4 (0.57) | CYP3A4THRBCYP2C9KDM4ELMNA | |
| SCHEMBL8553702 | 0.81 | CYP3A4 (0.45) | CYP3A4THRBCYP2C9KDM4ELMNA | |
| SCHEMBL8553706 | 0.81 | CYP3A4 (0.45) | CYP3A4THRBCYP2C9KDM4ELMNA | |
| SCHEMBL9201668 | 0.80 | CYP3A4 (0.62) | CYP3A4THRBCYP2C9KDM4ELMNA | |
| SCHEMBL9201672 | 0.80 | CYP3A4 (0.62) | CYP3A4THRBCYP2C9KDM4ELMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-5360813-A | Inhibitors of ergosterol biosynthesis | J. URIACH & CIA. S.A. (ES) | 1994-11-01 | — | — | US | disclosed |
| US-5344839-A | Imidazole or triazole compounds | J. URIACH & CIA. S.A. (ES) | 1994-09-06 | — | — | US | disclosed |
| EP-0480215-A1 | New sulfonamides as antifungal agents | J. URIACH & CIA. S.A. (ES) | 1992-04-15 | — | — | EP | disclosed |