Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 6/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.34 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.34 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | FABP2 | P12104 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2370298 | 0.97 | AKR1C3 (0.38) | AKR1C3AKR1C2CYP3A4LMNACYP2C9 | |
| SCHEMBL2371309 | 0.81 | CYP3A4 (0.36) | CYP3A4LMNACYP2C9CYP2C19CYP2B6 | |
| Potassium Ion SCHEMBL2370572 | 0.81 | CYP3A4 (0.36) | CYP3A4LMNACYP2C9CYP2C19CYP2B6 | |
| Lithium Ion SCHEMBL2370296 | 0.81 | CYP3A4 (0.36) | CYP3A4LMNACYP2C9CYP2C19CYP2B6 | |
| SCHEMBL14562495 | 0.80 | HCAR2 (0.34) | AKR1C3AKR1C2CYP3A4LMNACYP2C9 | |
| SCHEMBL1553635 | 0.76 | CYP3A4 (0.40) | CYP3A4LMNACYP2C9CYP2C19CYP2B6 | |
| SCHEMBL2625489 | 0.75 | CYP11B1 (0.40) | CYP3A4LMNACYP2C9CYP2C19CYP2B6 | |
| SCHEMBL12298618 | 0.73 | CYP3A4 (0.46) | CYP3A4LMNACYP2C9CYP2C19CYP2B6 | |
| SCHEMBL5340414 | 0.72 | CYP3A4 (0.37) | CYP3A4LMNACYP2C9CYP2C19CYP2B6 | |
| SCHEMBL29009979 | 0.72 | AKR1C3 (0.42) | AKR1C3AKR1C2CYP3A4LMNACYP2C9 |
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-2545039-A1 | A PROCESS FOR MAKING VORICONAZOLE | Synthon BV (NL) | 2013-01-16 | — | — | EP | disclosed |
| WO-2011110198-A1 | A PROCESS FOR MAKING VORICONAZOLE | SYNTHRON B.V. (NL) | 2011-09-15 | — | — | WO | disclosed |