Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTO1 | P78417 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL571992 | 0.70 | APEX1 (0.33) | THRBALDH1A1CYP2C19 | |
| SCHEMBL3248705 | 0.67 | CYP3A4 (0.54) | THRBALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3169549 | 0.66 | CYP2C19 (0.46) | THRBALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29023306 | 0.65 | ALDH1A1 (0.44) | THRBALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28282024 | 0.64 | — | — | |
| Styrene SCHEMBL31474496 | 0.64 | ALDH1A1 (0.42) | THRBALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11572061 | 0.63 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5328752 | 0.62 | TGM2 (0.39) | THRBALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10014250 | 0.62 | THRB (0.43) | THRBALDH1A1CYP3A4CYP2C9CYP2C19 | |
| Benzene SCHEMBL28161005 | 0.62 | THRB (0.35) | GSTO1THRBALDH1A1CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110049780-A | Isoquinolinebenzodiazepine (IQB) -1 (chloromethyl) -2, 3-dihydro-1H-benzo [ E ] indole (CBI) dimer | 塞勒兰特治疗公司 | 2019-07-23 | — | — | CN | disclosed |