Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | SCN1A | P35498 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HRH2 | P25021 | 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 | |
|---|---|---|---|---|
| SCHEMBL19637325 | 0.80 | HTR2C (0.51) | HTR2AHRH3MAPK1ALDH1A1HTR2B | |
| SCHEMBL19637165 | 0.75 | HRH3 (0.45) | HTR2AHRH3MAPK1ALDH1A1HTR2B | |
| SCHEMBL22994702 | 0.74 | ALDH1A1 (0.41) | HTR2AHRH3MAPK1ALDH1A1HTR2B | |
| SCHEMBL21895570 | 0.74 | MAPK1 (0.41) | HTR2AHRH3MAPK1ALDH1A1HTR2B | |
| SCHEMBL21315023 | 0.74 | MTOR (0.44) | HRH3HTR2BUSP2TLR7KDM4E | |
| SCHEMBL29245850 | 0.73 | MTOR (0.40) | HRH3HTR2BUSP2TLR7KDM4E | |
| SCHEMBL19617224 | 0.73 | MTOR (0.40) | HRH3HTR2BUSP2TLR7KDM4E | |
| SCHEMBL19617015 | 0.72 | TLR9 (0.44) | HRH3USP2TLR7CYP2D6CYP3A4 | |
| SCHEMBL22994708 | 0.72 | HTR2A (0.34) | HTR2ACHRM2CHRM1 | |
| SCHEMBL19636856 | 0.70 | MTOR (0.38) | HRH3TLR7CYP2D6CYP3A4MTOR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3458445-B1 | KRAS G12C INHIBITORS | MIRATI THERAPEUTICS INC (US) | 2021-02-17 | — | — | EP | disclosed |
| WO-2017201161-A1 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. (US) | 2017-11-23 | — | — | WO | disclosed |