Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | HTT | P42858 | 2/20 | 0.64 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.59 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | HPGDS | O60760 | 1/20 | 0.53 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 6/20 | 0.50 |
| ▸ | NPC1 | O15118 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | NPBWR1 | P48145 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | KDR | P35968 | 1/20 | 0.50 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL31276383 | 0.85 | ALDH1A1 (0.61) | ALDH1A1HTTNPSR1LMNAHIF1A | |
| SCHEMBL7912407 | 0.85 | NPC1 (0.65) | ALDH1A1HTTLMNAHIF1AGAA | |
| SCHEMBL8765024 | 0.81 | RAB9A (0.69) | ALDH1A1HTTNPSR1LMNAHIF1A | |
| SCHEMBL31276556 | 0.79 | LMNA (0.58) | ALDH1A1NPSR1LMNAHIF1AGAA | |
| SCHEMBL23398941 | 0.79 | HTT (0.54) | ALDH1A1HTTNPSR1LMNAHIF1A | |
| SCHEMBL31276354 | 0.79 | NPBWR1 (0.56) | ALDH1A1HTTNPSR1LMNAHIF1A | |
| SCHEMBL12854139 | 0.76 | HIF1A (0.69) | ALDH1A1HTTLMNAHIF1ARAB9A | |
| SCHEMBL3495891 | 0.76 | KEAP1 (0.61) | ALDH1A1HTTNPSR1LMNAHIF1A | |
| SCHEMBL8764353 | 0.76 | NPC1 (0.62) | ALDH1A1HIF1AMAPTMCHR1RAB9A | |
| SCHEMBL5431907 | 0.74 | ALDH1A1 (0.49) | ALDH1A1HTTNPSR1LMNAHIF1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0731794-B1 | 1,4,5-TRIPHENYL PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION AND INFLAMMATION-RELATED DISORDERS | SEARLE & CO (US) | 1997-08-06 | — | — | EP | disclosed |
| US-5639777-A | 1,4,5-triphenyl pyrazolyl compounds for the treatment of inflammation and inflammation-related disorders | G.D. SEARLE & CO. (US) | 1997-06-17 | — | — | US | disclosed |
| EP-0731794-A1 | 1,4,5-TRIPHENYL PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION AND INFLAMMATION-RELATED DISORDERS | SEARLE & CO (US) | 1996-09-18 | — | — | EP | disclosed |
| WO-1995015317-A1 | 1,4,5-TRIPHENYL PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION AND INFLAMMATION-RELATED DISORDERS | G.D. SEARLE & CO. (US) | 1995-06-08 | — | — | WO | disclosed |