Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 15/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.62 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | FYN | P06241 | 2/20 | 0.40 |
| ▸ | CYP51A1 | Q16850 | 2/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6151930 | 1.00 | CYP3A4 (0.62) | CYP3A4CYP2C9THRBKDM4ELMNA | |
| SCHEMBL9665341 | 0.86 | CYP3A4 (0.46) | CYP3A4CYP2C9THRBKDM4EHSP90AA1 | |
| SCHEMBL10517012 | 0.86 | CYP3A4 (0.46) | CYP3A4CYP2C9THRBKDM4EHSP90AA1 | |
| SCHEMBL74247 | 0.84 | CYP3A4 (0.74) | CYP3A4CYP2C9THRBKDM4ELMNA | |
| SCHEMBL6152103 | 0.81 | CYP3A4 (0.40) | CYP3A4CYP2C9THRBLMNACYP51A1 | |
| SCHEMBL3046354 | 0.81 | CYP3A4 (0.40) | CYP3A4CYP2C9THRBLMNACYP51A1 | |
| SCHEMBL10518765 | 0.81 | CYP3A4 (0.40) | CYP3A4CYP2C9THRBLMNACYP51A1 | |
| SCHEMBL3046353 | 0.81 | CYP3A4 (0.40) | CYP3A4CYP2C9THRBLMNACYP51A1 | |
| SCHEMBL10516594 | 0.81 | USP2 (0.45) | CYP3A4CYP2C9LMNACYP51A1NR1I2 | |
| SCHEMBL9667152 | 0.81 | USP2 (0.45) | CYP3A4CYP2C9LMNACYP51A1NR1I2 |
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-1068200-B1 | 2,4,4-TRISUBSTITUTED-1,3-DIOXOLANE ANTIFUNGALS | JANSSEN PHARMACEUTICA NV (BE) | 2005-02-16 | — | — | EP | disclosed |
| US-6387906-B1 | DERMATOPHYTES | JANSSEN PHARMACEUTICA N.V. (BE) | 2002-05-14 | — | — | US | disclosed |