Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 8/20 | 0.42 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL8261420 | 0.83 | OPRM1 (0.56) | OPRL1OPRM1OPRD1OPRK1GRIN2B | |
| SCHEMBL9965852 | 0.79 | OPRL1 (0.47) | ALDH1A1OPRL1OPRM1OPRD1OPRK1 | |
| SCHEMBL15765297 | 0.76 | OPRL1 (0.47) | ALDH1A1OPRL1OPRM1OPRD1OPRK1 | |
| SCHEMBL9937601 | 0.73 | STS (0.46) | OPRD1OPRK1GRIN2B | |
| SCHEMBL23343753 | 0.72 | OPRL1 (0.65) | OPRL1OPRM1OPRD1OPRK1GRIN2B | |
| SCHEMBL18115648 | 0.72 | ALDH1A1 (0.58) | ALDH1A1OPRL1OPRM1OPRD1OPRK1 | |
| SCHEMBL25363457 | 0.71 | AVPR1A (0.46) | OPRL1OPRM1OPRD1OPRK1GRIN2B | |
| SCHEMBL18081021 | 0.70 | OPRM1 (0.54) | OPRL1OPRM1OPRD1OPRK1GRIN2B | |
| SCHEMBL1742229 | 0.70 | OPRM1 (0.71) | OPRL1OPRM1OPRD1OPRK1GRIN2B | |
| SCHEMBL15981156 | 0.70 | GAA (0.51) | ALDH1A1OPRL1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2651898-A1 | NOVEL N- (4- (AZETIDINE - 1 - CARBONYL) PHENYL) - (HETERO - ) ARYLSULFONAMIDE DERIVATIVES AS PYRUVATE KINASE M2 (PMK2) MODULATORS | Agios Pharmaceuticals, Inc. (US) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012083246-A1 | NOVEL N- (4- (AZETIDINE - 1 - CARBONYL) PHENYL) - (HETERO - ) ARYLSULFONAMIDE DERIVATIVES AS PYRUVATE KINASE M2 (PMK2) MODULATORS | AGIOS PHARMACEUTICALS, INC. (US) | 2012-06-21 | — | — | WO | disclosed |