Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | BCR | P11274 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8940869 | 0.89 | ERN1 (0.44) | ERN1ALDH1A1CYP3A4CYP1A2KDM4E | |
| SCHEMBL9332746 | 0.74 | ERN1 (0.58) | ERN1ALDH1A1CYP3A4KDM4EGAA | |
| SCHEMBL9563947 | 0.73 | ALDH1A1 (0.52) | ERN1ALDH1A1CYP3A4CYP1A2KDM4E | |
| Difucol Hexamethyl Ether SCHEMBL505203 | 0.71 | CYP1A2 (0.60) | ERN1ALDH1A1CYP3A4CYP1A2MAPT | |
| SCHEMBL21263 | 0.71 | ALDH1A1 (0.69) | ALDH1A1CYP3A4CYP1A2AHRABL1 | |
| SCHEMBL811578 | 0.71 | ALDH1A1 (0.59) | ALDH1A1CYP3A4CYP1A2AHRABL1 | |
| SCHEMBL10118361 | 0.71 | MAPT (0.42) | ERN1ALDH1A1CYP3A4CYP1A2KDM4E | |
| SCHEMBL1541991 | 0.70 | ERN1 (0.64) | ERN1ALDH1A1CYP3A4CYP1A2KDM4E | |
| SCHEMBL29025470 | 0.70 | CYP3A4 (0.50) | ALDH1A1CYP3A4CYP1A2NPC1ABL1 | |
| SCHEMBL13696428 | 0.70 | ALDH1A1 (0.45) | ERN1ALDH1A1CYP3A4CYP1A2KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0700384-A1 | PROCESS FOR PREPARING AND RESOLVING 2-PHENYL-3-AMINOPIPERIDINE | PFIZER (US) | 1996-03-13 | — | — | EP | disclosed |
| WO-1994027966-A1 | PROCESS FOR PREPARING AND RESOLVING 2-PHENYL-3-AMINOPIPERIDINE | PFIZER INC. (US) | 1994-12-08 | — | — | WO | disclosed |