Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 7/20 | 0.49 |
| ▸ | NTRK3 | Q16288 | 4/20 | 0.48 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.46 |
| ▸ | LDHA | P00338 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31115726 | 0.82 | ALDH1A1 (0.51) | ALDH1A1MAPTSMN1; SMN2KDM4EATM | |
| SCHEMBL6870678 | 0.81 | ALDH1A1 (0.42) | PIN1LDHAALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL6862103 | 0.79 | ADORA1 (0.55) | MAPTNPSR1 | |
| SCHEMBL4418482 | 0.79 | PIN1 (0.40) | PIN1LDHAALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL6871142 | 0.79 | ALDH1A1 (0.43) | PIN1ALDH1A1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL6870411 | 0.79 | MEN1 (0.58) | NTRK1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL6861984 | 0.78 | MAPT (0.43) | PIN1ALDH1A1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL29922980 | 0.77 | NTRK1 (0.46) | NTRK1NTRK3ALDH1A1MAPTNTRK2 | |
| SCHEMBL21585741 | 0.76 | L3MBTL1 (0.45) | NTRK1NTRK3ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL610009 | 0.75 | PIN1 (0.49) | PIN1ALDH1A1MAPTSMN1; SMN2KDM4E |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1187338-C | 5-phenyl-pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 2005-02-02 | — | — | CN | disclosed |
| EP-1187814-B1 | 5-PHENYL-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2004-08-18 | — | — | EP | disclosed |
| US-6756380-B1 | NEUROKININ 1 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE INC. | 2004-06-29 | — | — | US | disclosed |
| CN-1353696-A | 5-phenyl-pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 2002-06-12 | — | — | CN | disclosed |
| EP-1187814-A2 | 5-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-03-20 | — | — | EP | disclosed |
| WO-2000073278-A2 | 5-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-12-07 | — | — | WO | disclosed |