Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR1D | P28221 | 1/20 | 0.41 |
| ▸ | HTR1B | P28222 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | HTR6 | P50406 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 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 | |
|---|---|---|---|---|
| SCHEMBL21291588 | 1.00 | KDM4E (0.43) | KDM4EOPRL1HTR1AHTR1DHTR1B | |
| SCHEMBL21291592 | 0.84 | ADRB1 (0.56) | KDM4EHTR1AHTR1DHTR1BDRD2 | |
| SCHEMBL30516390 | 0.84 | ADRB1 (0.56) | KDM4EHTR1AHTR1DHTR1BDRD2 | |
| SCHEMBL7951102 | 0.80 | HTR1A (0.49) | KDM4EOPRL1HTR1AHTR1DHTR1B | |
| SCHEMBL21301978 | 0.80 | GOT1 (0.45) | KDM4EALDH1A1MAPTGOT1 | |
| SCHEMBL9054446 | 0.78 | HTR1A (0.47) | KDM4EOPRL1HTR1AHTR1DHTR1B | |
| SCHEMBL9052045 | 0.75 | OPRL1 (0.44) | OPRL1HTR1AHTR1DHTR1BDRD2 | |
| Hydrochloric Acid SCHEMBL5698349 | 0.75 | ADRB1 (0.67) | HTR1ADRD2DRD3HTR6MAPT | |
| SCHEMBL7943360 | 0.74 | HRH4 (0.56) | KDM4EHTR6ALDH1A1HPGDMAPK1 | |
| SCHEMBL4306478 | 0.73 | ADRB1 (0.69) | HTR1ADRD2DRD3HTR6MAPT |
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-112041300-B | Indole and benzimidazole derivatives as dual 5-HT2A and 5-HT6 receptor antagonists | 阿达梅德制药公司 | 2023-07-28 | — | — | CN | disclosed |