Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | NMT1 | P30419 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | PLAT | P00750 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.41 |
| ▸ | CPN1 | P15169 | 1/20 | 0.41 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL26870465 | 0.90 | ALDH1A1 (0.50) | CYP3A4CYP2C9CYP2C19TSHRHTR2C | |
| SCHEMBL10367670 | 0.86 | ITGB3 (0.46) | CYP3A4CYP2C9CYP2C19TSHRHTR2C | |
| SCHEMBL12606879 | 0.86 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL6594948 | 0.82 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19TSHRHTR2C | |
| SCHEMBL21178229 | 0.81 | SLC6A2 (0.47) | TSHROPRD1CPN1CPB2SLC6A2 | |
| SCHEMBL7373506 | 0.81 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19TSHRHTR2C | |
| SCHEMBL27375520 | 0.81 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19TSHRHTR2C | |
| SCHEMBL17729118 | 0.78 | CPN1 (0.47) | ALDH1A1OPRD1PLATCPN1CPB2 | |
| SCHEMBL27513550 | 0.77 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19TSHRHTR2C | |
| SCHEMBL27512854 | 0.77 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19TSHRHTR2C |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019142901-A1 | METHOD FOR PRODUCING 1-(1-TERT-BUTOXYCARBONYL-4-PIPERIDYLACETYL)-4-MESYLOXYPIPERIDINE AND 1-(1-TERT-BUTOXYCARBONYL-4-PIPERIDYLACETYL)-4-MESYLOXYPIPERIDINE | 有機合成薬品工業株式会社 | 2019-07-25 | — | — | WO | disclosed |