Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | CMA1 | P23946 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9602840 | 0.82 | CYP2A6 (0.42) | CYP2A6ALOX5CMA1HSD17B2MAPT | |
| SCHEMBL28679598 | 0.79 | ALOX5 (0.46) | CYP2A6ALOX5CMA1HSD17B2MAPT | |
| SCHEMBL5826364 | 0.79 | CYP2A6 (0.50) | CYP2A6ALOX5CMA1HSD17B2MAPT | |
| SCHEMBL19682789 | 0.76 | ALOX5 (0.51) | CYP2A6ALOX5CMA1HSD17B2MAPT | |
| SCHEMBL4171153 | 0.75 | CYP2A6 (0.46) | CYP2A6ALOX5CMA1HSD17B2MAPT | |
| SCHEMBL24406257 | 0.72 | ALOX5 (0.55) | CYP2A6ALOX5CMA1HSD17B2MAPT | |
| SCHEMBL4603703 | 0.71 | ALOX5 (0.48) | CYP2A6ALOX5CMA1HSD17B2MAPT | |
| SCHEMBL6599929 | 0.71 | CYP2A6 (0.46) | CYP2A6ALOX5CMA1MAPTHDAC3 | |
| SCHEMBL717441 | 0.71 | ALOX5 (0.54) | CYP2A6ALOX5CMA1HSD17B2MAPT | |
| SCHEMBL6026188 | 0.71 | ALOX5 (0.46) | CYP2A6ALOX5CMA1HSD17B2MAPT |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1622610-A1 | 1-(2H-PYRAZOL-3-YL)-3- 4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL -UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS | Aventis Pharmaceuticals Inc. (US) | 2006-02-08 | — | — | EP | disclosed |
| WO-2004100946-A1 | 1- (2H-PYRAZOL -3-YL) -3YL) {4-`1- (BENZOYL) -PIPERIDIN-4-YLMETHYL!-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF IMFLAMMATIONS | AVENTIS PHARMACEUTICALS INC. (US) | 2004-11-25 | — | — | WO | disclosed |
| EP-1478653-A1 | MACROLIDES WITH ANTIBACTERIAL ACTIVITY | Basilea Pharmaceutica AG (CH) | 2004-11-24 | — | — | EP | disclosed |
| EP-1463735-A1 | IMIDAZO[2,1-B]-1,3,4-THIADIAZOLE SULFONAMIDES | Aegera Therapeutics Inc. (CA) | 2004-10-06 | — | — | EP | disclosed |
| EP-1381363-A1 | IMIDAZO [1,2-A]-PYRIDINE DERIVATIVES AS MGLUR5 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-01-21 | — | — | EP | disclosed |
| WO-2003072588-A1 | MACROLIDES WITH ANTIBACTERIAL ACTIVITY | BASILEA PHARMACEUTICA AG (CH) | 2003-09-04 | — | — | WO | disclosed |
| WO-2003051890-A1 | IMIDAZO [2,1-B]-1,3,4-THIADIAZOLE SUFLONAMIDES | AEGERA THERAPEUTICS INC. (CA) | 2003-06-26 | — | — | WO | disclosed |
| WO-2002092086-A1 | IMIDAZO (1,2-A)-PYRIDINE DERIVATIVES AS MGLUR5 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-11-21 | — | — | WO | disclosed |