Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | DHODH | Q02127 | 4/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.45 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | FABP3 | P05413 | 1/20 | 0.42 |
| ▸ | FABP4 | P15090 | 1/20 | 0.42 |
| ▸ | PRNP | P04156 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.42 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13780199 | 0.80 | TSHR (0.53) | ADORA3KMT2AMEN1PDE10ATSHR | |
| SCHEMBL6016580 | 0.79 | TACR1 (0.54) | DHODH | |
| SCHEMBL10377531 | 0.73 | KDM4E (0.51) | ADORA3KMT2AMEN1KDM4EPDE10A | |
| SCHEMBL10986022 | 0.72 | SCN9A (0.76) | KMT2AMEN1GAAALDH1A1SCN9A | |
| SCHEMBL3576829 | 0.72 | KDM4E (0.57) | ADORA3KMT2AKDM4ETSHRGAA | |
| SCHEMBL10475598 | 0.72 | DHODH (0.52) | ADORA3KMT2AMEN1KDM4EPDE10A | |
| SCHEMBL31517757 | 0.71 | POLB (0.45) | KMT2AMEN1KDM4EALDH1A1LMNA | |
| SCHEMBL4395939 | 0.71 | KDM4E (0.65) | KMT2AKDM4EPDE10ATSHRGAA | |
| SCHEMBL6957371 | 0.71 | SMN1; SMN2 (0.65) | KMT2AMEN1KDM4EPDE10ATSHR | |
| SCHEMBL14358666 | 0.70 | HSD17B10 (0.59) | KMT2AMEN1PDE10AGAAALDH1A1 |
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 |