Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 3/20 | 0.58 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | KDR | P35968 | 1/20 | 0.50 |
| ▸ | CDK8 | P49336 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | WRN | Q14191 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.47 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.47 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.47 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9891509 | 0.87 | AR (0.63) | ARGRM4L3MBTL1KDRCDK8 | |
| SCHEMBL8902443 | 0.86 | CYP1A2 (0.54) | ARCYP1A2CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL4123404 | 0.85 | AR (0.64) | ARGRM4KDRGAAPGR | |
| SCHEMBL1904289 | 0.84 | AR (0.64) | ARGRM4KDRCDK8BLM | |
| SCHEMBL8029788 | 0.84 | AR (0.60) | ARGRM4KDRCDK8BLM | |
| SCHEMBL6602968 | 0.84 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19L3MBTL1GAA | |
| SCHEMBL31146306 | 0.84 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19L3MBTL1GAA | |
| SCHEMBL463590 | 0.83 | AR (0.62) | ARGRM4L3MBTL1KDRCDK8 | |
| SCHEMBL20560568 | 0.83 | GRM4 (0.61) | ARGRM4KDRCDK8BLM | |
| SCHEMBL1380778 | 0.83 | AR (0.58) | ARGRM4KDRCDK8BLM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0596358-B1 | 0-Phenylenediamines containing fluoroakyl(ene) groups and their use as intermediates in the preparation of benzimidazoles | BAYER AG (DE) | 1998-10-28 | — | — | EP | disclosed |
| US-5484953-A | CHEMICAL INTERMEDIATES FOR BENZIMIDAZOLES FOR INSECTICIDES OR NEMATOCIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1996-01-16 | — | — | US | disclosed |
| EP-0596358-A1 | 0-Phenylenediamines containing fluoroakyl(ene) groups and their use as intermediates in the preparation of benzimidazoles | BAYER AG (DE) | 1994-05-11 | — | — | EP | disclosed |