Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | SCN2A | Q99250 | 4/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 2/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9015133 | 0.79 | KDM4E (0.46) | KDM4EALDH1A1HPGDCYP1A2CYP2C9 | |
| SCHEMBL19541221 | 0.78 | NOTUM (0.42) | KDM4EALDH1A1CYP1A2CYP2C9SCN2A | |
| SCHEMBL1536003 | 0.75 | NOTUM (0.56) | KDM4EALDH1A1HPGDCYP1A2CYP2C9 | |
| SCHEMBL18787989 | 0.73 | NOTUM (0.54) | KDM4EALDH1A1CYP1A2CYP2C9SCN2A | |
| SCHEMBL18952025 | 0.70 | NOTUM (0.46) | KDM4EALDH1A1HPGDCYP1A2CYP2C9 | |
| SCHEMBL28253288 | 0.68 | ERCC1 (0.52) | KDM4EALDH1A1HPGDNOTUMGAA | |
| SCHEMBL17266947 | 0.67 | NOTUM (0.54) | KDM4EALDH1A1HPGDCYP1A2CYP2C9 | |
| SCHEMBL25312090 | 0.65 | KDM4E (0.48) | KDM4EALDH1A1CYP1A2CYP2C9SCN2A | |
| Piperazine SCHEMBL28833037 | 0.65 | NOTUM (0.46) | KDM4EALDH1A1HPGDCYP1A2CYP2C9 | |
| SCHEMBL1450720 | 0.65 | HMBS (0.48) | KDM4EALDH1A1HPGDCYP1A2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1369415-A1 | Substituted pyrrolyl compounds for the treatment of inflammation | G.D. SEARLE & CO. (US) | 2003-12-10 | — | — | EP | disclosed |
| EP-0946507-B1 | SUBSTITUTED PYRROLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | SEARLE & CO (US) | 2003-09-24 | — | — | EP | disclosed |
| EP-0946507-A1 | SUBSTITUTED PYRROLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1999-10-06 | — | — | EP | disclosed |
| US-5935990-A | PYRROLYL DERIVATIVES HAVING AT POSITION 1 OR 5 A PHENYL SUBSTITUTED WITH METHYLSULFONYL OR AMINOSULFONYL; INHIBIT CYCLOOXYGENASE-2 FOR USE TREATMENT OF INFLAMMATION, AS AN ANALGESIC, OR AS AN ANTIPYRETIC | G.D. SEARLE & CO. (US) | 1999-08-10 | — | — | US | disclosed |
| WO-1998025896-A1 | SUBSTITUTED PYRROLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1998-06-18 | — | — | WO | disclosed |
| CN-1074439-A | A kind of method from the synthetic trifluoromethyl pyrpole compounds of trifluoromethyl oxazolone | SHANGHAI INST ORGANIC CHEM (CN) | 1993-07-21 | — | — | CN | disclosed |