Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | GPR35 | Q9HC97 | 8/20 | 0.57 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA3 | P07451 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL22041620 | 0.81 | GPR35 (0.53) | ALDH1A1TSHRGAAMAPK1GPR35 | |
| SCHEMBL22041638 | 0.80 | GPR35 (0.52) | ALDH1A1GAAGPR35CA12CA1 | |
| SCHEMBL27934297 | 0.79 | GPR35 (0.60) | ALDH1A1TSHRGAAMAPK1GPR35 | |
| SCHEMBL22041628 | 0.76 | GPR35 (0.47) | ALDH1A1TSHRGAAMAPK1GPR35 | |
| SCHEMBL3080344 | 0.74 | GPR35 (1.00) | ALDH1A1GPR35MAPTGRIN1GRIN2A | |
| SCHEMBL28807108 | 0.72 | GPR35 (0.60) | ALDH1A1GPR35CA12CA1CA2 | |
| SCHEMBL28805354 | 0.71 | CNR2 (0.66) | ALDH1A1GPR35CA12CA1CA2 | |
| SCHEMBL27915787 | 0.71 | CNR2 (0.66) | ALDH1A1GPR35CA12CA1CA2 | |
| SCHEMBL22041605 | 0.70 | GPR35 (0.74) | ALDH1A1GPR35HSD17B10GRIN1GRIN2A | |
| SCHEMBL27934335 | 0.70 | CNR2 (0.65) | GPR35CA12CA1CA2CA3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | 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 | 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 |