Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | MITF | O75030 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14246861 | 0.70 | GBA1 (0.40) | MAPTOPRM1ALDH1A1CYP3A4TSHR | |
| SCHEMBL7216822 | 0.69 | OPRM1 (0.39) | OPRM1HTR2ATACR1 | |
| SCHEMBL8642209 | 0.68 | HTR2A (0.38) | KDM4EGAAL3MBTL1OPRM1CYP3A4 | |
| SCHEMBL28440775 | 0.68 | OPRM1 (0.36) | OPRM1HTR2ASLC6A2SLC6A4TACR1 | |
| SCHEMBL17400224 | 0.64 | HTR1A (0.39) | KDM4EMAPTL3MBTL1OPRM1ALDH1A1 | |
| SCHEMBL9251390 | 0.64 | GBA1 (0.59) | KDM4EGAAMAPTL3MBTL1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9250977 | 0.62 | GBA1 (0.58) | KDM4EGAAMAPTL3MBTL1ALDH1A1 | |
| SCHEMBL11631600 | 0.62 | CTSC (0.40) | KDM4EMAPTALDH1A1MITFTSHR | |
| SCHEMBL29290911 | 0.61 | OPRM1 (0.43) | OPRM1ALDH1A1TSHRHTR2ATACR1 | |
| SCHEMBL21580526 | 0.61 | ALDH1A1 (0.59) | KDM4EMAPTOPRM1ALDH1A1CYP3A4 |
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-108299411-B | 4, 4-diphenyl piperidine compound or pharmaceutically acceptable salt, pharmaceutical composition and application thereof | 中国人民解放军军事医学科学院毒物药物研究所 | 2021-02-05 | — | — | CN | disclosed |