Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | FLT3 | P36888 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.35 |
| ▸ | OXTR | P30559 | 1/20 | 0.35 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6868900 | 0.95 | TDO2 (0.39) | KDM4ESMN1; SMN2ALDH1A1GPBAR1OXTR | |
| SCHEMBL6862219 | 0.92 | KDM4E (0.35) | KDM4ESMN1; SMN2ALDH1A1HTTFLT3 | |
| SCHEMBL6862168 | 0.84 | KDM4E (0.42) | KDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL6872471 | 0.84 | KDM4E (0.47) | KDM4ESMN1; SMN2ALDH1A1CACNA1BCACNA1H | |
| SCHEMBL6862224 | 0.84 | ACHE (0.37) | KDM4ESMN1; SMN2ALDH1A1FLT3GPBAR1 | |
| SCHEMBL6866620 | 0.79 | ALDH1A1 (0.44) | KDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL6866149 | 0.79 | KDM4E (0.44) | KDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL6861972 | 0.79 | NMT2 (0.42) | GPBAR1GRIN1GRIN2B | |
| SCHEMBL6870940 | 0.78 | KDM4E (0.41) | KDM4ESMN1; SMN2ALDH1A1CACNA1BMEN1 | |
| SCHEMBL7704154 | 0.77 | KDM4E (0.40) | KDM4ESMN1; SMN2ALDH1A1HTTLMNA |
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 12 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 | claimed |
| EP-1187814-B1 | 5-PHENYL-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2004-08-18 | — | — | EP | claimed |
| US-6756380-B1 | NEUROKININ 1 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE INC. | 2004-06-29 | — | — | US | claimed |
| CN-1353696-A | 5-phenyl-pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 2002-06-12 | — | — | CN | claimed |
| EP-1187814-A2 | 5-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-03-20 | — | — | EP | claimed |
| WO-2000073278-A2 | 5-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-12-07 | — | — | WO | claimed |
| 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 |