Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 5/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.38 |
| ▸ | IDO1 | P14902 | 5/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28668021 | 1.00 | ABCB1 (0.51) | ABCB1ESR2HTR1ASLC6A2SLC6A4 | |
| SCHEMBL10994234 | 0.89 | ABCB1 (0.60) | ABCB1HTR1ASLC6A2SLC6A4SLC6A3 | |
| Bicarbonate SCHEMBL9363462 | 0.83 | ABCB1 (0.51) | ABCB1HTR1ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL22321349 | 0.81 | ESR2 (0.41) | ABCB1ESR2HTR1ASLC6A2SLC6A4 | |
| SCHEMBL22321348 | 0.81 | ESR2 (0.41) | ABCB1ESR2HTR1ASLC6A2SLC6A4 | |
| SCHEMBL29487565 | 0.81 | ESR2 (0.41) | ABCB1ESR2HTR1ASLC6A2SLC6A4 | |
| SCHEMBL31389997 | 0.80 | CHRNB2 (0.44) | ABCB1HTR1ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL24685527 | 0.79 | ABCB1 (0.56) | ABCB1HTR1ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27569086 | 0.79 | ABCB1 (0.61) | ABCB1HTR1ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL31518094 | 0.78 | ABCB1 (0.47) | ABCB1HTR1ASLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114181136-A | Substituted piperidine compounds and uses thereof | 武田药品工业株式会社 | 2022-03-15 | — | — | CN | disclosed |
| CN-108884043-B | Substituted piperidine compounds and uses thereof | 武田药品工业株式会社 | 2021-11-26 | — | — | CN | disclosed |
| CN-108884043-A | Substituted piperidine compounds and uses thereof | 武田药品工业株式会社 | 2018-11-23 | — | — | CN | disclosed |