Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ELAVL1 | Q15717 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | CSNK2A2 | P19784 | 4/20 | 0.33 |
| ▸ | CSNK2B | P67870 | 4/20 | 0.33 |
| ▸ | CSNK2A1 | P68400 | 4/20 | 0.33 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.33 |
| ▸ | PRKCG | P05129 | 2/20 | 0.33 |
| ▸ | PRKCB | P05771 | 2/20 | 0.33 |
| ▸ | PRKCA | P17252 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25242361 | 0.79 | CYP1A2 (0.35) | CYP1A2CYP2A6TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL16646895 | 0.74 | HTT (0.52) | LMNAHTTCYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL29344274 | 0.72 | CYP1A2 (0.35) | CYP1A2CYP2A6NOTUMNR4A2 | |
| SCHEMBL26749281 | 0.69 | KDM4E (0.33) | CYP1A2ALDH1A1KDM4EESR2ESR1 | |
| SCHEMBL16942515 | 0.67 | CYP1A2 (0.40) | CYP1A2CYP2A6TSHRALDH1A1KDM4E | |
| SCHEMBL24176119 | 0.66 | MAOA (0.45) | CYP1A2CYP2A6TSHRALDH1A1KDM4E | |
| SCHEMBL29344083 | 0.66 | TRPV1 (0.37) | LMNAHTTCYP1A2CYP2A6TSHR | |
| SCHEMBL26716246 | 0.66 | DAO (0.44) | LMNAHTTALDH1A1KDM4EESR2 | |
| SCHEMBL8772321 | 0.64 | HSP90AA1 (0.42) | LMNAHTTCYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL257262 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023097227-A1 | SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS | MERCK SHARP & DOHME LLC (US) | 2023-06-01 | — | — | WO | disclosed |