Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 6/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | THRB | P10828 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.49 |
| ▸ | KLKB1 | P03952 | 3/20 | 0.48 |
| ▸ | KLK1 | P06870 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | HPGDS | O60760 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | TACR1 | P25103 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7709690 | 0.95 | LMNA (0.61) | LMNACYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL6016439 | 0.89 | THRB (0.53) | LMNACYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL6016379 | 0.85 | THRB (0.49) | LMNACYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL6867090 | 0.78 | CHRNB2 (0.64) | LMNAKMT2AHTTNPSR1L3MBTL1 | |
| SCHEMBL8085675 | 0.75 | HPGDS (0.64) | LMNACYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL22573822 | 0.73 | HPGDS (0.64) | LMNAMEN1KMT2AALDH1A1THRB | |
| SCHEMBL976971 | 0.71 | MEN1 (0.74) | LMNACYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL8084871 | 0.70 | HPGDS (0.64) | LMNACYP1A2CYP2C19MEN1KMT2A | |
| SCHEMBL29941278 | 0.70 | ERCC1 (0.59) | CYP1A2CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL14426741 | 0.69 | MEN1 (0.70) | LMNACYP1A2CYP2C9CYP2C19MEN1 |
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 2 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 |
| 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 |