Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKAB2 | O43741 | 1/20 | 0.52 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.52 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.52 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.52 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.52 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.52 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.52 |
| ▸ | PIK3CA | P42336 | 8/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | WDR5 | P61964 | 2/20 | 0.44 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | BCR | P11274 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Morpholine SCHEMBL6016412 | 0.94 | PRKAB2 (0.49) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL4124843 | 0.88 | PIK3CA (0.49) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL6016520 | 0.87 | ALDH1A1 (0.44) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL6016413 | 0.87 | TACR1 (0.43) | TSHRSMN1; SMN2PTPN11ALDH1A1KMT2A | |
| SCHEMBL7987933 | 0.87 | TP53 (0.43) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| Piperazine SCHEMBL6016518 | 0.86 | ALDH1A1 (0.44) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL2954462 | 0.84 | PTPN11 (0.52) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| Methylpiperazine SCHEMBL6016589 | 0.82 | TACR1 (0.40) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL6016337 | 0.82 | CASP1 (0.55) | PIK3CATSHRPOLBPTPN11ALDH1A1 | |
| SCHEMBL2948308 | 0.80 | PTPN11 (0.52) | PIK3CATP53TSHRPOLBPTPN11 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1187815-B1 | 4-PHENYL-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-02-08 | — | — | EP | disclosed |
| EP-1187815-A1 | 4-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-03-20 | — | — | 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 |
| WO-2000073279-A1 | 4-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-12-07 | — | — | WO | disclosed |