Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 12/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.42 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22041628 | 0.82 | GPR35 (0.47) | GPR35GAAALDH1A1TSHRMAPK1 | |
| SCHEMBL22041604 | 0.81 | GPR35 (0.55) | GPR35ALDH1A1TSHRMAOAHPGD | |
| SCHEMBL22041599 | 0.81 | GPR35 (0.52) | GPR35ALDH1A1TSHRMAOAHPGD | |
| SCHEMBL22041600 | 0.81 | GPR35 (0.52) | GPR35ALDH1A1TSHRMAOAHPGD | |
| SCHEMBL22041636 | 0.81 | GPR35 (0.49) | GPR35GAAALDH1A1TSHRMAOA | |
| SCHEMBL22041627 | 0.81 | ALDH1A1 (0.58) | GPR35GAAALDH1A1TSHRMAPK1 | |
| SCHEMBL22041935 | 0.81 | GPR35 (0.51) | GPR35ALDH1A1TSHRMAOAHPGD | |
| SCHEMBL22041622 | 0.81 | GPR35 (0.51) | GPR35GAAALDH1A1MAOAHPGD | |
| SCHEMBL22041632 | 0.81 | GPR35 (0.51) | GPR35ALDH1A1TSHRMAOAHPGD | |
| SCHEMBL22041626 | 0.80 | GPR35 (0.64) | GPR35MAOAHPGDUSP2CASP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020114290-A1 | 3-CARBOXYL COUMARIN DERIVATIVE CAPABLE OF BEING USED AS A GPR35 AGONIST, PREPARATION METHOD, AND APPLICATION | 泰州医药城国科化物生物医药科技有限公司 | 2020-06-11 | — | — | WO | claimed |
| WO-2020114290-A1 | 3-CARBOXYL COUMARIN DERIVATIVE CAPABLE OF BEING USED AS A GPR35 AGONIST, PREPARATION METHOD, AND APPLICATION | 泰州医药城国科化物生物医药科技有限公司 | 2020-06-11 | — | — | WO | disclosed |