Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | SCN1A | P35498 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.37 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL21895570 | 0.83 | MAPK1 (0.41) | ALDH1A1MAPK1HRH3CYP1A2CHRM2 | |
| SCHEMBL19637387 | 0.74 | HTR2A (0.43) | ALDH1A1MAPK1HRH3CYP1A2CHRM2 | |
| SCHEMBL21895740 | 0.71 | ALDH1A1 (0.41) | ALDH1A1MAPK1HRH3CYP1A2CHRM2 | |
| SCHEMBL19637165 | 0.67 | HRH3 (0.45) | ALDH1A1MAPK1HRH3CYP1A2CHRM2 | |
| SCHEMBL14413070 | 0.63 | CRHR1 (0.44) | ALDH1A1MAPK1HRH3CYP1A2CHRM2 | |
| SCHEMBL14412522 | 0.62 | CRHR1 (0.42) | ALDH1A1MAPK1HRH3CYP1A2CHRM2 | |
| SCHEMBL21912197 | 0.61 | HPGD (0.32) | HRH3KCNH2TLR7 | |
| Pramoxine SCHEMBL26020 | 0.61 | ALDH1A1 (1.00) | ALDH1A1MAPK1HRH3CYP1A2CHRM2 | |
| Pramoxine SCHEMBL180542 | 0.60 | LMNA (1.00) | ALDH1A1MAPK1HRH3CYP1A2CHRM2 | |
| SCHEMBL23804878 | 0.60 | HRH3 (0.91) | ALDH1A1MAPK1HRH3CYP1A2CHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3458445-B1 | KRAS G12C INHIBITORS | MIRATI THERAPEUTICS INC (US) | 2021-02-17 | — | — | EP | disclosed |