Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9022060 | 0.87 | CYP3A4 (0.45) | CYP3A4ALDH1A1MAPTPOLBCYP1A2 | |
| SCHEMBL10726056 | 0.86 | CYP19A1 (0.50) | CYP3A4ALDH1A1MAPTPOLBCYP1A2 | |
| SCHEMBL11350755 | 0.85 | CYP3A4 (0.48) | CYP3A4ALDH1A1MAPTHTTPOLB | |
| SCHEMBL9272650 | 0.85 | CYP3A4 (0.43) | CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL9824026 | 0.83 | CYP1A2 (0.44) | CYP3A4ALDH1A1MAPTCYP1A2CYP2D6 | |
| SCHEMBL10469807 | 0.83 | LMNA (0.49) | CYP3A4ALDH1A1MAPTHTTPOLB | |
| SCHEMBL9203686 | 0.82 | CYP3A4 (0.41) | CYP3A4ALDH1A1MAPTCYP1A2CYP2D6 | |
| SCHEMBL10948941 | 0.81 | KMT2A (0.50) | CYP3A4ALDH1A1MAPTHTTPOLB | |
| SCHEMBL6949649 | 0.81 | MAPT (0.48) | CYP3A4ALDH1A1MAPTHTTPOLB | |
| SCHEMBL9823992 | 0.80 | KDM4A (0.38) | CYP3A4ALDH1A1MAPTHTTPOLB |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4994480-A | Protecting plants, industrial materials | BAYER AKTIENGESELLSCHAFT (DE) | 1991-02-19 | — | — | US | disclosed |
| US-4940798-A | Substituted azolylvinyl ketones and carbinols as fungicides and plant growth regulators | BAYER AKTIENGESELLSCHAFT (DE) | 1990-07-10 | — | — | US | disclosed |
| EP-0338344-A2 | Substituted triazolyl methyl carbinoles | BAYER AG (DE) | 1989-10-25 | — | — | EP | disclosed |
| US-4728356-A | Novel substituted azolylvinyl ketones and carbinols as fungicides and plant growth regulators | BAYER AKTIENGESELLSCHAFT (DE) | 1988-03-01 | — | — | US | disclosed |
| EP-0101925-B1 | SUBSTITUTED AZOLYLVINYL KETONES AND CARBINOLS | BAYER AG (DE) | 1986-11-26 | — | — | EP | disclosed |
| EP-0101926-B1 | AZOLYL-KETO-ENAMINES | BAYER AG (DE) | 1986-09-03 | — | — | EP | disclosed |
| EP-0175233-A2 | Substituted 1,1-bis-azolyl-butane-2-ones and -oles | BAYER AG (DE) | 1986-03-26 | — | — | EP | disclosed |
| EP-0101926-A1 | Azolyl-keto-enamines | BAYER AG (DE) | 1984-03-07 | — | — | EP | disclosed |
| EP-0101925-A1 | Substituted azolylvinyl ketones and carbinols | BAYER AG (DE) | 1984-03-07 | — | — | EP | disclosed |
| EP-0100952-A1 | Substituted azolylallyl ketones and carbinols | BAYER AG (DE) | 1984-02-22 | — | — | EP | disclosed |