Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 3/20 | 0.37 |
| ▸ | KDM5A | P29375 | 1/20 | 0.36 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.36 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.34 |
| ▸ | VNN1 | O95497 | 1/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14101106 | 0.84 | GPR119 (0.37) | AKT1ITGA4ITGB7EPHX2HSD11B1 | |
| SCHEMBL6724706 | 0.84 | OPRM1 (0.42) | KDM5AITGA4ITGB7OPRM1HSD11B1 | |
| SCHEMBL8809962 | 0.82 | OPRM1 (0.51) | AKT1OPRM1ALDH1A1HTT | |
| SCHEMBL8809179 | 0.80 | CYP17A1 (0.40) | KDM5AITGA4ITGB7OPRM1HSD11B1 | |
| SCHEMBL23136323 | 0.79 | AKT1 (0.42) | AKT1OPRM1EPHX2MAPK10VNN1 | |
| SCHEMBL8808902 | 0.78 | ITGA4 (0.47) | AKT1KDM5AITGA4ITGB7OPRM1 | |
| SCHEMBL16926658 | 0.78 | SLC6A9 (0.42) | — | |
| SCHEMBL4923232 | 0.76 | AKT1 (0.46) | AKT1OPRM1EPHX2VNN1GPR119 | |
| SCHEMBL8806582 | 0.76 | HDAC1 (0.41) | OPRM1CYP1A2 | |
| SCHEMBL2273980 | 0.75 | DRD2 (0.46) | AKT1OPRM1HSD11B1ALDH1A1GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0696280-B1 | SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS | MERRELL PHARMA INC (US) | 1997-09-24 | — | — | EP | disclosed |
| EP-0696280-A1 | SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS | MERRELL DOW PHARMA (US) | 1996-02-14 | — | — | EP | disclosed |
| WO-1994026735-A1 | SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-11-24 | — | — | WO | disclosed |