Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.42 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | TACR3 | P29371 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | LDHA | P00338 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6016487 | 0.94 | MEN1 (0.46) | ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL6016394 | 0.85 | KDM4E (0.43) | ALDH1A1KDM4ESMN1; SMN2HTR7CCNE2 | |
| SCHEMBL6016572 | 0.84 | MAPK14 (0.48) | ALDH1A1KDM4ESMN1; SMN2KMT2AMAPK1 | |
| Dimethylaminoethanol SCHEMBL6016335 | 0.82 | ALDH1A1 (0.43) | ALDH1A1KDM4ESMN1; SMN2HTR7CCNE2 | |
| Dimethylaminoethanol SCHEMBL6016528 | 0.81 | MAPK14 (0.46) | ALDH1A1KDM4ESMN1; SMN2KMT2AMAPK1 | |
| SCHEMBL6016503 | 0.80 | KDM4E (0.41) | ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL6016481 | 0.79 | ALDH1A1 (0.49) | ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL6016402 | 0.79 | MAPK14 (0.43) | ALDH1A1KDM4ESMN1; SMN2KMT2A | |
| SCHEMBL6016450 | 0.79 | MEN1 (0.51) | ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL5802878 | 0.77 | ALDH1A1 (0.44) | ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A |
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 |