Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCC3 | O15438 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL25174165 | 1.00 | ABCC3 (0.38) | ABCC3ESR1CYP1A2PGRCHRM2 | |
| SCHEMBL30322701 | 0.85 | HTT (0.33) | ABCC3ESR1CYP1A2PGRCHRM2 | |
| SCHEMBL30322642 | 0.85 | DHFR (0.30) | — | |
| SCHEMBL24004394 | 0.85 | DHFR (0.30) | — | |
| SCHEMBL23998071 | 0.85 | HTT (0.33) | ABCC3ESR1CYP1A2PGRCHRM2 | |
| SCHEMBL25171211 | 0.82 | ABCC8 (0.30) | — | |
| SCHEMBL31025171 | 0.80 | ENPP1 (0.35) | SLC6A2ENPP1 | |
| SCHEMBL25174322 | 0.80 | ENPP1 (0.35) | SLC6A2ENPP1 | |
| SCHEMBL26360419 | 0.74 | CYP1A2 (0.36) | ABCC3ESR1CYP1A2PGRCHRM2 | |
| SCHEMBL23998093 | 0.73 | KDM4E (0.41) | CYP1A2SLC6A2CYP2C19 |
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-118251381-A | Deuterated (trifluoromethyl) pyrimidin-2-amine compounds as enhancers of HMRGX's 1 receptor | 伊莱利利公司 | 2024-06-25 | — | — | CN | disclosed |