Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 12/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7809398 | 0.86 | MAPT (0.50) | CYP3A4CYP1A2CYP2C9CYP2C19NR4A2 | |
| SCHEMBL14214508 | 0.69 | AHR (0.57) | CYP3A4CYP1A2CYP2C9CYP2C19NR4A2 | |
| SCHEMBL9270278 | 0.66 | AHR (0.52) | CYP3A4CYP1A2CYP2C9CYP2C19NR4A2 | |
| SCHEMBL24611517 | 0.65 | AHR (0.55) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL24367843 | 0.64 | AHR (0.50) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL4241023 | 0.63 | AHR (0.48) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT | |
| Tert-Butyl Formate SCHEMBL28867288 | 0.63 | CYP3A4 (0.53) | CYP3A4CYP1A2CYP2C9CYP2C19NR4A2 | |
| Carbazole SCHEMBL28689618 | 0.63 | ALDH1A1 (0.58) | CYP1A2MAPTALDH1A1KDM4EHSD17B10 | |
| SCHEMBL7915043 | 0.62 | AHR (0.52) | CYP3A4CYP1A2CYP2C9CYP2C19NR4A2 | |
| SCHEMBL27803179 | 0.62 | KDM4E (0.42) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5968951-A | Benzenesulfonamide derivatives as bradykinin antagonists | FOURNIER INDUSTRIE ET SANTE (FR) | 1999-10-19 | — | — | US | disclosed |