Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 14/20 | 0.55 |
| ▸ | MAOB | P27338 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA3 | P07451 | 2/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
| ▸ | CA6 | P23280 | 2/20 | 0.43 |
| ▸ | CA5A | P35218 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22041612 | 0.87 | GPR35 (0.58) | GPR35MAOBCA12CA1CA3 | |
| SCHEMBL22041599 | 0.87 | GPR35 (0.52) | GPR35MAOBCA12CA1CA3 | |
| SCHEMBL22041625 | 0.83 | GPR35 (0.56) | GPR35MAOBCA12CA1CA3 | |
| SCHEMBL22041635 | 0.83 | GPR35 (0.54) | GPR35MAOBALDH1A1LMNAHPGD | |
| SCHEMBL22041603 | 0.83 | GPR35 (0.53) | GPR35MAOBCA12CA1CA3 | |
| SCHEMBL22041600 | 0.83 | GPR35 (0.52) | GPR35MAOBCA12CA1CA3 | |
| SCHEMBL22041935 | 0.82 | GPR35 (0.51) | GPR35MAOBCA12CA1CA3 | |
| SCHEMBL22041620 | 0.81 | GPR35 (0.53) | GPR35MAOBCA12CA1CA3 | |
| SCHEMBL22041626 | 0.81 | GPR35 (0.64) | GPR35MAOBCA12CA1CA3 | |
| SCHEMBL22041622 | 0.80 | GPR35 (0.51) | GPR35MAOBCA12CA1CA3 |
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 3 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 |
| CN-111285790-A | 3-carboxycoumarin derivative capable of serving as 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 | 2020-06-16 | — | — | CN | disclosed |
| 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 |