Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | GRM5 | P41594 | 1/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MC3R | P41968 | 1/20 | 0.41 |
| ▸ | MC1R | Q01726 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2817870 | 1.00 | ALDH1A1 (0.47) | ALDH1A1CYP3A4KDM4ESMN1; SMN2OPRK1 | |
| SCHEMBL3633284 | 1.00 | ALDH1A1 (0.47) | ALDH1A1CYP3A4KDM4ESMN1; SMN2OPRK1 | |
| SCHEMBL2820776 | 0.84 | MAOA (0.46) | CYP3A4KDM4EOPRK1MAOAMAOB | |
| SCHEMBL19875740 | 0.83 | CYP3A4 (0.59) | ALDH1A1CYP3A4KDM4EMAOAMAOB | |
| SCHEMBL19875739 | 0.83 | CYP3A4 (0.59) | ALDH1A1CYP3A4KDM4EMAOAMAOB | |
| SCHEMBL24938939 | 0.83 | CYP3A4 (0.50) | ALDH1A1CYP3A4KDM4EMAOAMAOB | |
| SCHEMBL4249938 | 0.83 | CYP3A4 (0.50) | ALDH1A1CYP3A4KDM4EMAOAMAOB | |
| SCHEMBL15325590 | 0.83 | CYP3A4 (0.50) | ALDH1A1CYP3A4KDM4EMAOAMAOB | |
| SCHEMBL5368566 | 0.83 | CYP3A4 (0.50) | ALDH1A1CYP3A4KDM4EMAOAMAOB | |
| SCHEMBL19408855 | 0.83 | CYP3A4 (0.50) | ALDH1A1CYP3A4KDM4EMAOAMAOB |
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-2155672-A1 | PROLINAMIDE DERIVATIVES AS NK3 ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2010-02-24 | — | — | EP | disclosed |
| WO-2008148689-A1 | PROLINAMIDE DERIVATIVES AS NK3 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-12-11 | — | — | WO | disclosed |