Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 7/20 | 0.55 |
| ▸ | THRB | P10828 | 7/20 | 0.55 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.54 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.51 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.49 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.47 |
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.47 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | F2 | P00734 | 2/20 | 0.44 |
| ▸ | F10 | P00742 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19419879 | 0.85 | AKR1C3 (0.53) | KEAP1FFAR1CYP1A1CYP1B1AR | |
| SCHEMBL4624233 | 0.79 | THRA (0.54) | THRATHRBKEAP1FFAR1ESR1 | |
| SCHEMBL25372849 | 0.78 | ABCB1 (0.48) | THRATHRBPTPN1SMN1; SMN2 | |
| SCHEMBL6289452 | 0.78 | FFAR1 (0.61) | KEAP1FFAR1CYP1A1CYP1B1GAA | |
| Phenyl Propionic Acid SCHEMBL6534964 | 0.76 | KEAP1 (0.95) | KEAP1FFAR1MAPTHDAC3MAPK1 | |
| SCHEMBL27540915 | 0.75 | NLRP3 (0.54) | KEAP1FFAR1CYP1A1CYP1B1GAA | |
| SCHEMBL6293685 | 0.74 | TDP1 (0.50) | THRATHRBKEAP1CYP1A1CYP1B1 | |
| SCHEMBL28345930 | 0.74 | CRHBP (0.54) | THRATHRBFFAR1MAPTPTPN1 | |
| Phenyl Propionic Acid SCHEMBL29619843 | 0.74 | KEAP1 (1.00) | KEAP1FFAR1MAPTHDAC3MAPK1 | |
| Phenyl Propionic Acid SCHEMBL13618844 | 0.74 | KEAP1 (1.00) | KEAP1FFAR1MAPTHDAC3MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6867200-B1 | (Hetero)aryl-bicyclic heteroaryl derivatives, their preparation and their use as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-15 | — | — | US | disclosed |
| CN-1344256-A | (Hetero) aryl-bicyclic heteroaryl derivatives, their prepn. and their use as protease inhibitors | AXYS PHARM INC (US) | 2002-04-10 | — | — | CN | disclosed |
| EP-1140859-A2 | (HETERO)ARYL-BICYCLIC HETEROARYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000035886-A2 | (HETERO)ARYL-BICYCLIC HETEROARYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2000-06-22 | — | — | WO | disclosed |