Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 5/20 | 0.47 |
| ▸ | ITGB7 | P26010 | 5/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 2/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | KDM5A | P29375 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8809179 | 0.86 | CYP17A1 (0.40) | ITGA4ITGB7OPRM1KDM5AHDAC1 | |
| SCHEMBL8809962 | 0.86 | OPRM1 (0.51) | OPRM1HDAC1ALDH1A1TACR1AKT1 | |
| SCHEMBL14101094 | 0.85 | RAB9A (0.44) | ITGA4ITGB7RAB9ANAMPTCYP3A4 | |
| SCHEMBL2273980 | 0.79 | DRD2 (0.46) | OPRM1ALDH1A1AKT1 | |
| SCHEMBL8808488 | 0.78 | AKT1 (0.37) | ITGA4ITGB7RAB9AOPRM1KDM5A | |
| SCHEMBL8806582 | 0.77 | HDAC1 (0.41) | OPRM1CYP3A4HDAC1TACR1 | |
| SCHEMBL23778929 | 0.77 | RAB9A (0.48) | RAB9ANAMPTCYP3A4ALDH1A1CYP17A1 | |
| SCHEMBL8302463 | 0.75 | ITGA4 (0.46) | ITGA4ITGB7OPRM1HDAC1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8350428 | 0.73 | ITGA4 (0.45) | ITGA4ITGB7OPRM1CYP3A4HDAC1 | |
| SCHEMBL7467936 | 0.73 | OPRM1 (0.45) | ITGA4ITGB7OPRM1ALDH1A1 |
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-0696280-B1 | SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS | MERRELL PHARMA INC (US) | 1997-09-24 | — | — | EP | disclosed |