Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKAB2 | O43741 | 2/20 | 0.49 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.49 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.49 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.49 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.49 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.49 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.49 |
| ▸ | PIK3CA | P42336 | 7/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | WDR5 | P61964 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6016446 | 0.94 | PRKAB2 (0.52) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL6016520 | 0.90 | ALDH1A1 (0.44) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| Piperazine SCHEMBL6016518 | 0.89 | ALDH1A1 (0.44) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| Morpholine SCHEMBL6016373 | 0.86 | PIK3CA (0.47) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| Methylpiperazine SCHEMBL6016589 | 0.85 | TACR1 (0.40) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL4124843 | 0.83 | PIK3CA (0.49) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL6016413 | 0.82 | TACR1 (0.43) | TSHRSMN1; SMN2ALDH1A1USP2CYP1A2 | |
| SCHEMBL7987933 | 0.82 | TP53 (0.43) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL2954462 | 0.80 | PTPN11 (0.52) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL4119980 | 0.79 | ALDH1A1 (0.42) | TP53TSHRSMN1; SMN2ALDH1A1USP2 |
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-1187815-B1 | 4-PHENYL-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-02-08 | — | — | EP | disclosed |
| US-6274588-B1 | NEUROKININ OR SUBSTANCE P ANTAGONISTS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS | HOFFMANN-LA ROCHE INC. | 2001-08-14 | — | — | US | disclosed |