Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PLA2G7 | Q13093 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16319954 | 0.83 | PTGS2 (0.48) | PTGS1PTGS2MAPK1CNR1CNR2 | |
| SCHEMBL16320125 | 0.78 | PKM (0.45) | ALDH1A1LMNAHPGDSMN1; SMN2 | |
| SCHEMBL16319805 | 0.77 | GRM4 (0.38) | ALDH1A1LMNAMAPK1GAA | |
| SCHEMBL11414484 | 0.73 | ALDH1A1 (0.52) | ALDH1A1PTGS1PTGS2S1PR1FYN | |
| SCHEMBL2375290 | 0.71 | KDM4E (0.35) | ALDH1A1LMNAMAPK1GAASMN1; SMN2 | |
| SCHEMBL16319839 | 0.71 | KDM4E (0.42) | ALDH1A1MAPK1GAA | |
| SCHEMBL16320026 | 0.70 | HCAR3 (0.48) | LMNAHPGDCYP1A2CYP2C19SMN1; SMN2 | |
| SCHEMBL197213 | 0.69 | ALDH1A1 (0.46) | ALDH1A1LMNAMAPK1GAAHPGD | |
| SCHEMBL16319691 | 0.69 | MAPT (0.53) | ALDH1A1LMNAGAASMN1; SMN2 | |
| SCHEMBL16320397 | 0.69 | FAAH (0.44) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2544684-B1 | 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES USEFUL AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-1 (DPP-1) | JANSSEN PHARMACEUTICA NV (BE) | 2014-12-24 | — | — | EP | disclosed |