Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APLNR | P35414 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ADH1A | P07327 | 8/20 | 0.38 |
| ▸ | ADH1C | P00326 | 6/20 | 0.38 |
| ▸ | ADH4 | P08319 | 1/20 | 0.35 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.35 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | ADH1B | P00325 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28005038 | 1.00 | APLNR (0.38) | APLNRKDM4EMAPTKMT2AATM | |
| Hydrochloric Acid SCHEMBL28040748 | 0.98 | APLNR (0.37) | APLNRKDM4EMAPTKMT2AATM | |
| SCHEMBL27719489 | 0.78 | — | — | |
| SCHEMBL27819156 | 0.76 | ADH1A (0.38) | APLNRKDM4EMAPTKMT2AATM | |
| SCHEMBL1300016 | 0.76 | ADH1A (0.57) | APLNRKDM4EMAPTKMT2AATM | |
| SCHEMBL3956369 | 0.75 | — | — | |
| SCHEMBL18570188 | 0.73 | ADH1A (0.54) | ADH1AADH1CADH4ADH1B | |
| SCHEMBL528874 | 0.73 | ADH1A (0.54) | ADH1AADH1CADH4ADH1B | |
| SCHEMBL27830314 | 0.71 | SLC6A1 (0.47) | APLNRKDM4EMAPTKMT2AATM | |
| SCHEMBL27809861 | 0.71 | SLC6A1 (0.47) | APLNRKDM4EMAPTKMT2AATM |
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-105102430-A | Process for the preparation of enantiomerically enriched 3-aminopiperidine | REUTER CHEMISCHE APPBAU KG | 2015-11-25 | — | — | CN | disclosed |