Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 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 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21912197 | 0.83 | HPGD (0.32) | KCNH2HRH3TLR7PDE5A | |
| SCHEMBL21912198 | 0.82 | CRHR1 (0.34) | CRHR1 | |
| SCHEMBL21846218 | 0.77 | HRH3 (0.35) | HRH3TLR7CRHR1 | |
| SCHEMBL25021680 | 0.73 | CRHR1 (0.35) | HRH3TLR7CRHR1 | |
| SCHEMBL19637165 | 0.73 | HRH3 (0.45) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL21895536 | 0.73 | TLR7 (0.38) | TLR7 | |
| SCHEMBL22994702 | 0.71 | ALDH1A1 (0.41) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL21895570 | 0.71 | MAPK1 (0.41) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL13759198 | 0.65 | CRHR1 (0.47) | ALDH1A1CYP1A2HTR2BSIGMAR1TLR7 | |
| SCHEMBL14413070 | 0.65 | CRHR1 (0.44) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 |
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-2020055756-A1 | COMBINATION THERAPIES | Mirati Therapeutics, Inc. (US) | 2020-03-19 | — | — | WO | disclosed |