Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 7/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 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 | |
|---|---|---|---|---|
| SCHEMBL2701733 | 0.83 | SLC6A2 (0.40) | CYP2D6SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6208767 | 0.82 | SLC6A2 (0.40) | CYP2D6SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL13278411 | 0.80 | OPRM1 (0.51) | ALOX15ALDH1A1OPRM1KDM4E | |
| SCHEMBL1919144 | 0.77 | SLC6A2 (0.56) | CYP2D6SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5807511 | 0.75 | SLC6A2 (0.42) | CYP2D6SLC6A2SLC6A4SLC6A3OPRM1 | |
| SCHEMBL30529425 | 0.75 | DPP4 (0.39) | CYP2D6SLC6A2SLC6A4SLC6A3USP2 | |
| SCHEMBL28089936 | 0.73 | SLC6A2 (0.41) | CYP2D6SLC6A2SLC6A4SLC6A3CYP4F2 | |
| SCHEMBL2464991 | 0.72 | MME (0.49) | CYP2D6SLC6A2SLC6A4SLC6A3USP2 | |
| SCHEMBL28761351 | 0.71 | SLC6A2 (0.39) | CYP2D6SLC6A2SLC6A4SLC6A3OPRM1 | |
| SCHEMBL8762061 | 0.71 | OPRM1 (0.43) | CYP2D6SLC6A2SLC6A4SLC6A3ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103619838-B | Piperidinyl monocarboxylic acids as S1P1 receptor agonists | 生物计划公司 | 2016-08-24 | — | — | CN | disclosed |