Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9530687 | 0.93 | KMT2A (0.46) | HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1 | |
| SCHEMBL9531211 | 0.92 | KMT2A (0.41) | HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1 | |
| SCHEMBL9530477 | 0.89 | CYP3A4 (0.47) | HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1 | |
| SCHEMBL8674662 | 0.88 | HSP90AA1 (0.41) | HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1 | |
| SCHEMBL10505552 | 0.87 | HSP90AA1 (0.45) | HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1 | |
| SCHEMBL9530860 | 0.84 | HSP90AA1 (0.56) | HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1 | |
| SCHEMBL9530225 | 0.80 | KMT2A (0.50) | HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1 | |
| SCHEMBL9530158 | 0.80 | KMT2A (0.50) | HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1 | |
| SCHEMBL9530141 | 0.80 | CYP3A4 (0.63) | HSP90AA1KMT2ACYP3A4CYP19A1CYP2C9 | |
| SCHEMBL7260497 | 0.80 | HSP90AA1 (0.42) | HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| US-4980367-A | CONTROLLING PLANT DISEASES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-12-25 | — | — | 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 |
| EP-0251086-A2 | Antifungal carbinols | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1988-01-07 | — | — | EP | disclosed |