Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | RAD52 | P43351 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | SCN1A | P35498 | 1/20 | 0.34 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.34 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6016704 | 0.90 | ACHE (0.39) | ACHEKMT2AALDH1A1TSHRMAPT | |
| SCHEMBL6016508 | 0.85 | KDM4E (0.38) | ALDH1A1SMN1; SMN2ATMHSP90AA1KDM4E | |
| SCHEMBL6016339 | 0.84 | CHRM2 (0.43) | POLBRAD52KMT2AUHRF1ALDH1A1 | |
| SCHEMBL6016503 | 0.83 | KDM4E (0.41) | ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL6016620 | 0.81 | ACHE (0.36) | ACHEKMT2AALDH1A1TSHRMAPK1 | |
| SCHEMBL6016394 | 0.78 | KDM4E (0.43) | POLBALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL6862224 | 0.75 | ACHE (0.37) | ACHEALDH1A1SMN1; SMN2ATMHSP90AA1 | |
| SCHEMBL6870731 | 0.75 | ACHE (0.44) | ACHEALDH1A1TSHRADRB2ADRB1 | |
| SCHEMBL6016703 | 0.75 | MAPK14 (0.39) | KMT2AALDH1A1TSHRATMKDM4E | |
| Dimethylaminoethanol SCHEMBL6016335 | 0.74 | ALDH1A1 (0.43) | ALDH1A1SMN1; 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 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 |