Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.41 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.37 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | HTR1B | P28222 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3674577 | 0.86 | HTR2A (0.67) | HTR2AALDH1A1KDM4EGAAMAPT | |
| SCHEMBL8579622 | 0.81 | HTR2A (0.44) | HTR2AALDH1A1KDM4EGAAMAPT | |
| SCHEMBL29758941 | 0.79 | HTR2A (1.00) | HTR2AALDH1A1KDM4EGAAMAPT | |
| SCHEMBL2384515 | 0.79 | HTR2A (1.00) | HTR2AALDH1A1KDM4EGAAMAPT | |
| SCHEMBL6399339 | 0.76 | ALDH1A1 (0.60) | HTR2AALDH1A1KDM4EGAAMAPT | |
| SCHEMBL3674579 | 0.76 | HTR2A (0.57) | HTR2AALDH1A1KDM4EGAAMAPT | |
| SCHEMBL30366616 | 0.74 | HPRT1 (0.45) | HTR2AALDH1A1KDM4EL3MBTL1HPRT1 | |
| SCHEMBL1249585 | 0.74 | HPRT1 (0.45) | HTR2AALDH1A1KDM4EL3MBTL1HPRT1 | |
| Hydrochloric Acid SCHEMBL20562119 | 0.74 | HTR2A (0.46) | HTR2AALDH1A1MAPTTAAR1L3MBTL1 | |
| SCHEMBL7619989 | 0.74 | ACP3 (0.47) | HTR2AL3MBTL1GPR35POLB |
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-109912397-B | Gem difluoro substituted tetralone compound and preparation method thereof | 上海应用技术大学 | 2022-03-04 | — | — | CN | disclosed |