Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11936455 | 0.91 | CYP1A2 (0.38) | CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL25821973 | 0.77 | GAA (0.42) | CYP1A2CYP2C19 | |
| SCHEMBL18287434 | 0.77 | ALDH1A1 (0.32) | CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL29838160 | 0.76 | HRH4 (0.41) | CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL9432115 | 0.76 | CYP1A2 (0.41) | CYP1A2CYP2C19 | |
| SCHEMBL10876748 | 0.76 | HRH4 (0.41) | CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL27362651 | 0.72 | CYP1A2 (0.31) | CYP1A2CYP2C19 | |
| SCHEMBL10920679 | 0.71 | CYP1A2 (0.44) | CYP1A2CYP2C19ALDH1A1CHRNA7 | |
| SCHEMBL5695550 | 0.71 | KDM4E (0.31) | CYP1A2CYP2C19 | |
| SCHEMBL33145 | 0.71 | ALDH1A1 (0.43) | CYP1A2CYP2C19ALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5091529-A | HERBICIDAL SUBSTITUTED SULPHONYLAMINOAZOLES | BAYER AKTIENGESELLSCHAFT (DE) | 1992-02-25 | — | — | US | disclosed |
| US-5086174-A | Amino-s-triazine reacted with carbon disulfide with strong base and diluent, in situ methylation | BAYER AKTIENGESELLSCHAFT (DE) | 1992-02-04 | — | — | US | disclosed |
| US-5021082-A | Pre=and postemergent | BAYER AKTIENGESELLSCHAFT (DE) | 1991-06-04 | — | — | US | disclosed |
| US-4968796-A | FROM SULFONAMIDES AND N-HETEROARYL-IMINODITHIOCARBONIC ACID S,S-DIESTERS | BAYER AKTIENGESELLSCHAFT (DE) | 1990-11-06 | — | — | US | disclosed |
| US-4941912-A | Herbicidal substituted sulphonylaminoazoles | BAYER AKTIENGESELLSCHAFT (DE) | 1990-07-17 | — | — | US | disclosed |
| EP-0356828-A2 | Process for the preparation of sulfonyl isothiourea | BAYER AG (DE) | 1990-03-07 | — | — | EP | disclosed |
| EP-0330959-A2 | Substituted sulphonyl amino azoles | BAYER AG (DE) | 1989-09-06 | — | — | EP | disclosed |