Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 16/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 12/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 12/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.61 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.61 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.61 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.61 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.61 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.48 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.48 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.48 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9529524 | 0.93 | CYP3A4 (0.66) | CYP3A4CYP2C9CYP2C19LMNACYP19A1 | |
| SCHEMBL5445524 | 0.89 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19LMNACYP19A1 | |
| SCHEMBL5445517 | 0.89 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19LMNACYP19A1 | |
| SCHEMBL7685623 | 0.89 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19LMNACYP19A1 | |
| SCHEMBL9530141 | 0.89 | CYP3A4 (0.63) | CYP3A4CYP2C9CYP2C19LMNACYP19A1 | |
| SCHEMBL7264694 | 0.88 | CYP3A4 (0.63) | CYP3A4CYP2C9CYP2C19LMNACYP19A1 | |
| SCHEMBL8722965 | 0.88 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19LMNACYP19A1 | |
| SCHEMBL7259793 | 0.88 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19LMNACYP19A1 | |
| SCHEMBL9530158 | 0.87 | KMT2A (0.50) | CYP3A4CYP2C9CYP2C19LMNACYP19A1 | |
| SCHEMBL7265283 | 0.87 | CYP3A4 (0.57) | CYP3A4CYP2C9CYP2C19LMNACYP19A1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0187500-B1 | MONOBACTAMS | THE UPJOHN COMPANY (US) | 1993-04-28 | — | — | EP | claimed |
| EP-0251086-B1 | ANTIFUNGAL CARBINOLS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-03-17 | — | — | EP | claimed |
| US-4952232-A | Antifungal carbinols | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-08-28 | — | — | US | claimed |
| EP-0251086-A2 | Antifungal carbinols | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1988-01-07 | — | — | EP | claimed |
| EP-0251086-B1 | ANTIFUNGAL CARBINOLS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-03-17 | — | — | EP | disclosed |
| US-5084465-A | Plant fungicides for agriculture | DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1992-01-28 | — | — | US | disclosed |
| EP-0390850-A4 | ANTIFUNGAL CARBINOLS | — | 1990-12-05 | — | — | EP | disclosed |
| US-4965280-A | PLANT GROWTH REGULATORS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-10-23 | — | — | US | disclosed |
| US-4965281-A | CONTROLLING PLANT AND MAMMAL FUNGAL INFECTIONS | E. I. DU PONT DE NEMOURS AND CMOPANY (US) | 1990-10-23 | — | — | US | disclosed |
| EP-0390850-A1 | ANTIFUNGAL CARBINOLS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1990-10-10 | — | — | EP | disclosed |
| US-4952232-A | Antifungal carbinols | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-08-28 | — | — | US | disclosed |
| WO-1989005581-A1 | ANTIFUNGAL CARBINOLS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1989-06-29 | — | — | WO | disclosed |