Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.32 |
| ▸ | CD38 | P28907 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.31 |
| ▸ | KRAS | P01116 | 1/20 | 0.31 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.31 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.31 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.31 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.31 |
| ▸ | CBFB | Q13951 | 2/20 | 0.30 |
| ▸ | ACACB | O00763 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21514305 | 0.80 | TRPV1 (0.41) | TSHRCYP1A2CYP3A4ALDH1A1TRPV1 | |
| SCHEMBL13377819 | 0.71 | PARP1 (0.30) | ALDH1A1 | |
| SCHEMBL20157656 | 0.71 | TYRO3 (0.49) | FGFR1 | |
| SCHEMBL9797808 | 0.70 | PDK2 (0.40) | ALDH1A1USP2 | |
| SCHEMBL25680732 | 0.68 | TSHR (0.39) | TSHRCYP1A2CYP3A4ALDH1A1NUDT1 | |
| SCHEMBL20157445 | 0.68 | PDE3B (0.45) | CYP1A2ALDH1A1NUDT1TLR7 | |
| SCHEMBL8525361 | 0.67 | TYMS (0.32) | ALDH1A1 | |
| SCHEMBL29882178 | 0.67 | TSHR (0.38) | TSHRCYP1A2CYP3A4ALDH1A1MAPK1 | |
| SCHEMBL21514178 | 0.67 | TSHR (0.38) | TSHRCYP1A2CYP3A4ALDH1A1MAPK1 | |
| SCHEMBL716117 | 0.66 | TSHR (0.50) | TSHRCYP1A2CYP3A4ALDH1A1MAPK1 |
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-3539963-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE | Livo (Shanghai) Pharmaceutical Co., Ltd (CN) | 2019-09-18 | — | — | EP | disclosed |
| WO-2018086593-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE | 礼沃（上海）医药科技有限公司 | 2018-05-17 | — | — | WO | disclosed |