Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | DNM1 | Q05193 | 8/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | NAAA | Q02083 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1443233 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL1366937 | 0.83 | CYP1A2 (0.54) | CYP1A2CYP2D6DNM1MEN1KMT2A | |
| SCHEMBL18231369 | 0.81 | CYP1A2 (0.44) | CYP1A2CYP2D6TSHRNAAA | |
| SCHEMBL132315 | 0.81 | — | — | |
| Dimethylamine SCHEMBL27963870 | 0.79 | CYP1A2 (0.50) | CYP1A2CYP2D6 | |
| Trimethylammonium SCHEMBL27489681 | 0.79 | CYP1A2 (0.61) | CYP1A2CYP2D6 | |
| SCHEMBL12325078 | 0.79 | NAAA (0.54) | CYP1A2CYP2D6MEN1KMT2ATSHR | |
| SCHEMBL29209273 | 0.77 | NAAA (0.58) | CYP1A2CYP2D6DNM1MEN1KMT2A | |
| SCHEMBL9157045 | 0.77 | — | — | |
| SCHEMBL157518 | 0.75 | CYP1A2 (0.48) | CYP1A2CYP2D6MEN1KMT2AALDH1A1 |
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-114980976-A | Covalent RAS inhibitors and uses thereof | 锐新医药公司 | 2022-08-30 | — | — | CN | disclosed |