Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | JAK1 | P23458 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.42 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.42 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL26617983 | 0.86 | KDM4E (0.57) | NAAAALDH1A1GRIN2BKDM4ESLC18A3 | |
| SCHEMBL8437758 | 0.84 | SIGMAR1 (0.52) | NAAAALDH1A1GRIN2BKDM4ESLC18A3 | |
| SCHEMBL15765427 | 0.84 | NAAA (0.54) | NAAAALDH1A1GRIN2BKDM4ETSHR | |
| SCHEMBL25730521 | 0.83 | SLC6A2 (0.47) | NAAAALDH1A1GRIN2BTSHRSIGMAR1 | |
| SCHEMBL8442356 | 0.82 | KDM4E (0.68) | ALDH1A1GRIN2BKDM4EOPRM1SIGMAR1 | |
| SCHEMBL18462978 | 0.82 | NAAA (0.49) | NAAAALDH1A1GRIN2BKDM4ETSHR | |
| SCHEMBL3375289 | 0.80 | GRIN2B (0.61) | NAAAALDH1A1GRIN2BKDM4ETSHR | |
| SCHEMBL144125 | 0.80 | KMT2A (0.51) | NAAAGRIN2BSLC18A3OPRM1SIGMAR1 | |
| SCHEMBL11251947 | 0.79 | HRH3 (0.67) | NAAAALDH1A1GRIN2BKDM4ETSHR | |
| SCHEMBL15146910 | 0.78 | NAAA (0.49) | NAAAALDH1A1GRIN2BKDM4ETSHR |
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-2012151448-A1 | PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY | AGIOS PHARMACEUTICALS, INC. (US) | 2012-11-08 | — | — | WO | 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 |