Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL29090004 | 1.00 | CYP2A6 (0.42) | CYP2A6HTR2ACYP1A2ALDH1A1ALOX15 | |
| Ammonia Solution, Strong SCHEMBL29089969 | 1.00 | CYP2A6 (0.42) | CYP2A6HTR2ACYP1A2ALDH1A1ALOX15 | |
| SCHEMBL28920988 | 0.97 | CYP2A6 (0.44) | CYP2A6HTR2ACYP1A2ALDH1A1ALOX15 | |
| SCHEMBL7670364 | 0.83 | PGK1 (0.35) | — | |
| Ammonia Solution, Strong SCHEMBL29248173 | 0.74 | TSHR (0.44) | CYP2A6ALDH1A1MAPK1CNR1CYP19A1 | |
| Hydrochloric Acid SCHEMBL29248508 | 0.74 | IDO1 (0.44) | HTR2ACYP1A2ALDH1A1CYP19A1CYP2D6 | |
| SCHEMBL11578 | 0.72 | SLC6A2 (0.42) | CYP2A6HTR2ACYP1A2ALOX15CNR1 | |
| SCHEMBL2131604 | 0.72 | SLC6A2 (0.42) | CYP2A6HTR2ACYP1A2ALOX15CNR1 | |
| SCHEMBL31582594 | 0.72 | HTR2A (0.40) | CYP2A6HTR2ACYP1A2ALDH1A1ALOX15 | |
| SCHEMBL4502164 | 0.72 | HTR2A (0.40) | CYP2A6HTR2ACYP1A2ALDH1A1ALOX15 |
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-116916924-A | MALT1 modulators and uses thereof | 稀有生物科学股份有限公司 | 2023-10-20 | — | — | CN | disclosed |