Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 9/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL2822326 | 1.00 | ALDH1A1 (0.39) | ALDH1A1S1PR1S1PR5HTR2ARORC | |
| SCHEMBL3639015 | 1.00 | ALDH1A1 (0.39) | ALDH1A1S1PR1S1PR5HTR2ARORC | |
| SCHEMBL3633815 | 0.91 | S1PR1 (0.44) | S1PR1S1PR5HTR2ARORCOPRK1 | |
| SCHEMBL2820787 | 0.91 | S1PR1 (0.44) | S1PR1S1PR5HTR2ARORCOPRK1 | |
| SCHEMBL2822223 | 0.89 | MEN1 (0.40) | ALDH1A1HTR2ARORCHTTL3MBTL1 | |
| SCHEMBL2819635 | 0.79 | MEN1 (0.41) | ALDH1A1S1PR1S1PR5RORCHTT | |
| SCHEMBL3635161 | 0.79 | MEN1 (0.41) | ALDH1A1S1PR1S1PR5RORCHTT | |
| SCHEMBL2818838 | 0.76 | PTH1R (0.36) | ALDH1A1RORCL3MBTL1OPRK1CYP3A4 | |
| SCHEMBL2818863 | 0.75 | HTR2A (0.44) | HTR2A | |
| SCHEMBL2817870 | 0.74 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1OPRK1CYP3A4KDM4E |
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 |