Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 3/20 | 0.56 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.56 |
| ▸ | CYSLTR1 | Q9Y271 | 4/20 | 0.53 |
| ▸ | CYSLTR2 | Q9NS75 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.48 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3271805 | 0.85 | GPBAR1 (0.62) | AKR1B1FFAR1CYSLTR1CYSLTR2ALOX5 | |
| SCHEMBL3950944 | 0.84 | KCNH2 (0.61) | AKR1B1FFAR1CYSLTR1CYSLTR2CYP1A2 | |
| SCHEMBL140815 | 0.82 | CYP1A2 (0.65) | AKR1B1FFAR1CYSLTR1CYSLTR2CYP1A2 | |
| Acetic Acid SCHEMBL27459479 | 0.81 | CYP1A2 (0.64) | AKR1B1FFAR1CYSLTR1CYSLTR2CYP1A2 | |
| SCHEMBL15549053 | 0.81 | CYSLTR1 (0.51) | AKR1B1FFAR1CYSLTR1CYSLTR2CYP1A2 | |
| SCHEMBL1419872 | 0.80 | FFAR1 (0.77) | AKR1B1FFAR1CYSLTR1CYSLTR2ALOX5 | |
| SCHEMBL3272140 | 0.80 | WNT3A (0.46) | AKR1B1FFAR1CYSLTR1CYSLTR2CYP1A2 | |
| Hydrochloric Acid SCHEMBL15549056 | 0.80 | CYSLTR1 (0.50) | AKR1B1FFAR1CYSLTR1CYSLTR2CYP1A2 | |
| SCHEMBL547194 | 0.79 | FFAR1 (0.63) | AKR1B1FFAR1CYSLTR1CYSLTR2CYP1A2 | |
| SCHEMBL2913941 | 0.78 | PDE10A (0.61) | CYSLTR1CYSLTR2CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011138657-A1 | ARYL SUBSTITUTED OLEFINIC COMPOUNDS AS PDE10A INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2011-11-10 | — | — | WO | disclosed |
| WO-2009158393-A1 | 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS | ENVIVO PHARMACEUTICALS, INC. (US) | 2009-12-30 | — | — | WO | disclosed |