Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL7811093 | 1.00 | CYP2C19 (0.35) | CYP2C19CYP1A2CYP2D6CYP2C9OPRM1 | |
| SCHEMBL24862654 | 0.94 | CYP2C19 (0.36) | CYP2C19CYP1A2CYP2D6CYP2C9CYP19A1 | |
| SCHEMBL21217022 | 0.81 | CYP1A2 (0.35) | CYP2C19CYP1A2CYP2D6CYP2C9CYP19A1 | |
| SCHEMBL22039176 | 0.81 | CYP1A2 (0.35) | CYP2C19CYP1A2CYP2D6CYP2C9CYP19A1 | |
| SCHEMBL21254916 | 0.80 | ACHE (0.35) | CYP19A1 | |
| SCHEMBL11202632 | 0.77 | LMNA (0.37) | CYP2C19CYP1A2CYP2D6CYP2C9CYP19A1 | |
| SCHEMBL11202599 | 0.75 | CYP19A1 (0.34) | CYP19A1 | |
| SCHEMBL9635316 | 0.73 | PLA2G1B (0.33) | CYP2C19CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL20981285 | 0.72 | CYP19A1 (0.38) | CYP2C19CYP1A2CYP2D6CYP2C9CYP19A1 | |
| SCHEMBL3996974 | 0.72 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4160838-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1979-07-10 | — | — | US | claimed |
| US-4079062-A | ANTIMICROBIAL, PLANT GROWTH REGULATORS; 1-(B-ARYL)ETHYL-1H-1,2,4-TRIAZOLE KETALS | JANSSEN PHARMACEUTICA N.V. (BE) | 1978-03-14 | — | — | US | claimed |
| EP-0341846-B1 | AZOLE DERIVATIVES OF SPIROHETEROCYCLES | UNIROYAL CHEMICAL COMPANY, Inc. (US) | 1993-08-18 | — | — | EP | disclosed |
| US-5211736-A | Fungicide, plant growth regulator | UNIROYAL CHEMICAL COMPANY, INC. (US) | 1993-05-18 | — | — | US | disclosed |
| US-5106409-A | Fungicides, plant growth regulators | UNIROYAL CHEMICAL COMPANY, INC. (US) | 1992-04-21 | — | — | US | disclosed |
| US-4943311-A | Azole derivatives of spiroheterocycles | UNIROYAL CHEMICAL COMPANY, INC. (US) | 1990-07-24 | — | — | US | disclosed |
| EP-0341846-A2 | Azole derivatives of spiroheterocycles | UNIROYAL CHEMICAL COMPANY, Inc. (US) | 1989-11-15 | — | — | EP | disclosed |
| US-4160838-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1979-07-10 | — | — | US | disclosed |
| US-4079062-A | ANTIMICROBIAL, PLANT GROWTH REGULATORS; 1-(B-ARYL)ETHYL-1H-1,2,4-TRIAZOLE KETALS | JANSSEN PHARMACEUTICA N.V. (BE) | 1978-03-14 | — | — | US | disclosed |