Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.47 |
| ▸ | PRPS1 | P60891 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 4/20 | 0.38 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.37 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | IDE | P14735 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6172688 | 0.95 | AKR1C3 (0.49) | AKR1C3PRPS1ALDH1A1MAPTHPGD | |
| SCHEMBL6169150 | 0.86 | AKR1C3 (0.44) | AKR1C3ALDH1A1PTGDR2AKR1C2AKR1C4 | |
| SCHEMBL6171169 | 0.81 | AKR1C3 (0.46) | AKR1C3ALDH1A1PTGDR2AKR1C2AKR1C4 | |
| SCHEMBL24813004 | 0.79 | AKR1C3 (0.51) | AKR1C3ALDH1A1MAPTHPGDTDP1 | |
| SCHEMBL30708130 | 0.79 | AKR1C3 (0.51) | AKR1C3ALDH1A1MAPTHPGDTDP1 | |
| SCHEMBL840601 | 0.75 | PTGDR2 (0.45) | AKR1C3PRPS1ALDH1A1MAPTHPGD | |
| SCHEMBL7202476 | 0.74 | CNR1 (0.40) | MAPTHPGDPTGS1IDE | |
| SCHEMBL840578 | 0.70 | MAPK8 (0.48) | ALDH1A1PTGDR2MAPK8 | |
| SCHEMBL2003238 | 0.69 | ALDH1A1 (0.49) | AKR1C3ALDH1A1MAPTHPGDTDP1 | |
| SCHEMBL28977346 | 0.68 | AKR1C3 (0.49) | AKR1C3ALDH1A1PTGDR2AKR1C2AKR1C4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1284064-A | 2,3-substituted indole compounds as cox-2 inhibitors | PFIZER PHARMA (US) | 2001-02-14 | — | — | CN | claimed |
| EP-1045833-B1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER (US) | 2005-11-02 | — | — | EP | disclosed |
| US-6608070-B1 | Useful for treatment of medical condition in which prostaglandins are implicated as pathogens | NAKAO KAZUNARI (JP) | 2003-08-19 | — | — | US | disclosed |
| CN-1284064-A | 2,3-substituted indole compounds as cox-2 inhibitors | PFIZER PHARMA (US) | 2001-02-14 | — | — | CN | disclosed |
| EP-1045833-A1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER INC. (US) | 2000-10-25 | — | — | EP | disclosed |
| WO-1999035130-A1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER PHARMACEUTICALS INC. (JP) | 1999-07-15 | — | — | WO | disclosed |