Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 3/20 | 0.66 |
| ▸ | RXFP1 | Q9HBX9 | 9/20 | 0.64 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.63 |
| ▸ | MAPT | P10636 | 3/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6016291 | 0.87 | RXFP1 (0.62) | THRBRXFP1NTRK1MAPTTP53 | |
| SCHEMBL6016381 | 0.82 | RXFP1 (0.56) | THRBRXFP1NTRK1MAPTTP53 | |
| SCHEMBL3442518 | 0.82 | ALDH1A1 (0.70) | THRBRXFP1NTRK1MAPTTP53 | |
| SCHEMBL6016328 | 0.81 | RXFP1 (0.53) | THRBRXFP1NTRK1MAPTPOLB | |
| SCHEMBL6016488 | 0.81 | RXFP1 (0.48) | THRBRXFP1NTRK1MAPTTP53 | |
| SCHEMBL6016535 | 0.81 | RXFP1 (0.50) | THRBRXFP1NTRK1MAPTTP53 | |
| SCHEMBL6016353 | 0.80 | THRB (0.49) | THRBRXFP1NTRK1MAPTTP53 | |
| SCHEMBL1015071 | 0.80 | PDE4B (0.68) | THRBRXFP1NTRK1MAPTTP53 | |
| SCHEMBL6016587 | 0.79 | MAPT (0.50) | THRBRXFP1NTRK1MAPTTP53 | |
| SCHEMBL400143 | 0.79 | NTRK1 (0.60) | RXFP1NTRK1MAPTLMNANPSR1 |
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 |