Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.45 |
| ▸ | ALPL | P05186 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 5/20 | 0.45 |
| ▸ | DHODH | Q02127 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL31167707 | 0.83 | ALDH1A1 (0.46) | NTRK1DHODHALDH1A1TDP1 | |
| SCHEMBL6016408 | 0.83 | ALDH1A1 (0.46) | NTRK1DHODHALDH1A1TDP1 | |
| SCHEMBL6016381 | 0.83 | RXFP1 (0.56) | MAPTTP53THRBNTRK1RXFP1 | |
| SCHEMBL6016488 | 0.82 | RXFP1 (0.48) | MAPTTP53THRBNTRK1RXFP1 | |
| SCHEMBL6016328 | 0.82 | RXFP1 (0.53) | MAPTTHRBNTRK1RXFP1POLB | |
| SCHEMBL6016535 | 0.82 | RXFP1 (0.50) | MAPTTP53THRBNTRK1RXFP1 | |
| SCHEMBL8946598 | 0.81 | KMT2A (0.52) | MAPTTP53DHODHALDH1A1POLB | |
| SCHEMBL6016353 | 0.81 | THRB (0.49) | MAPTTP53THRBNTRK1RXFP1 | |
| SCHEMBL6866602 | 0.81 | MEN1 (0.50) | MAPTTP53NTRK1ALPLALDH1A1 | |
| SCHEMBL6016541 | 0.79 | THRB (0.66) | MAPTTP53THRBNTRK1RXFP1 |
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 |