Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 11/20 | 0.50 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.50 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.50 |
| ▸ | CYP8B1 | Q9UNU6 | 2/20 | 0.50 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL6152106 | 1.00 | CYP3A4 (0.50) | CYP3A4ABCG2ABCB11CYP8B1CYP17A1 | |
| SCHEMBL6151971 | 0.89 | CYP3A4 (0.51) | CYP3A4ABCG2ABCB11CYP8B1CYP17A1 | |
| SCHEMBL6151970 | 0.89 | CYP3A4 (0.51) | CYP3A4ABCG2ABCB11CYP8B1CYP17A1 | |
| SCHEMBL9251680 | 0.87 | CYP3A4 (0.55) | CYP3A4ABCG2ABCB11CYP8B1CYP17A1 | |
| SCHEMBL9251686 | 0.87 | CYP3A4 (0.55) | CYP3A4ABCG2ABCB11CYP8B1CYP17A1 | |
| SCHEMBL9254872 | 0.87 | CYP3A4 (0.54) | CYP3A4ABCG2ABCB11CYP8B1CYP17A1 | |
| SCHEMBL9254879 | 0.87 | CYP3A4 (0.54) | CYP3A4ABCG2ABCB11CYP8B1CYP17A1 | |
| Pramiconazole SCHEMBL3048307 | 0.84 | CYP3A4 (0.55) | CYP3A4ABCG2ABCB11CYP8B1CYP17A1 | |
| Pramiconazole SCHEMBL3048310 | 0.84 | CYP3A4 (0.55) | CYP3A4ABCG2ABCB11CYP8B1CYP17A1 | |
| Pramiconazole SCHEMBL6152243 | 0.83 | CYP3A4 (0.55) | CYP3A4ABCG2ABCB11CYP8B1CYP17A1 |
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 |