Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 14/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | DRD1 | P21728 | 1/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.53 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.52 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL20590369 | 0.85 | DRD1 (0.55) | PTGS2ALDH1A1HPGDBCL2L1HSD17B10 | |
| SCHEMBL27516551 | 0.82 | CA12 (0.65) | PTGS2ALDH1A1HPGDBCL2L1HSD17B10 | |
| SCHEMBL6053300 | 0.82 | ALDH1A1 (0.56) | PTGS2ALDH1A1HPGDBCL2L1HSD17B10 | |
| SCHEMBL5502727 | 0.82 | PTGS2 (1.00) | PTGS2PTGS1 | |
| Hydrogen Sulfide SCHEMBL27744400 | 0.80 | PTGS2 (0.96) | PTGS2PTGS1 | |
| SCHEMBL387063 | 0.79 | ENPP2 (0.61) | PTGS2ENPP2 | |
| SCHEMBL20590368 | 0.79 | DRD1 (0.58) | PTGS2ALDH1A1HPGDBCL2L1HSD17B10 | |
| SCHEMBL6732777 | 0.78 | PTGS2 (0.78) | PTGS2DRD1 | |
| SCHEMBL714236 | 0.78 | ALDH1A1 (0.83) | ALDH1A1HPGDBCL2L1HSD17B10 | |
| SCHEMBL29443997 | 0.78 | ALDH1A1 (0.83) | ALDH1A1HPGDBCL2L1HSD17B10 |
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-102639500-B | Tricyclic compound, preparation method and pharmaceutical use thereof | SHANGHAI HENGRUI PHARM CO LTD | 2015-02-11 | — | — | CN | disclosed |
| CN-102639500-A | Tricyclic compound, preparation method and pharmaceutical use thereof | SHANGHAI HENGRUI PHARM CO LTD | 2012-08-15 | — | — | CN | disclosed |
| EP-0783486-A1 | NOVEL PROSTAGLANDIN SYNTHASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-07-16 | — | — | EP | disclosed |
| US-5593994-A | ANTIINFLAMMATORY AGENTS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-01-14 | — | — | US | disclosed |