Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | TTR | P02766 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30632939 | 0.84 | NPC1 (0.51) | RAB9ANPC1TTRMAPTALDH1A1 | |
| SCHEMBL30632897 | 0.84 | NFE2L2 (0.50) | HTR2AHTR2CKCNH2NFE2L2 | |
| SCHEMBL30633073 | 0.79 | NPC1 (0.36) | RAB9ANPC1MAPTALDH1A1CYP1A2 | |
| SCHEMBL30632929 | 0.78 | MAPT (0.53) | RAB9ANPC1MAPTALDH1A1CYP1A2 | |
| SCHEMBL30632919 | 0.74 | GRM4 (0.47) | HTR2AKCNH2RAB9ANPC1MAPT | |
| SCHEMBL30632943 | 0.73 | NFE2L2 (0.33) | RAB9ANPC1MAPTALDH1A1CYP1A2 | |
| SCHEMBL15870902 | 0.72 | — | — | |
| SCHEMBL5753016 | 0.71 | ERBB2 (0.38) | HTR2AHTR2CKCNH2TTRMAOA | |
| SCHEMBL5753011 | 0.71 | ERBB2 (0.38) | HTR2AHTR2CKCNH2TTRMAOA | |
| SCHEMBL30632963 | 0.71 | NFE2L2 (0.55) | HTR2ARAB9ANPC1KDM4EL3MBTL1 |
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-111886234-B | Heterocyclic mitochondrial activity inhibitors and uses thereof | 蒙特利尔大学 | 2023-12-15 | — | — | CN | disclosed |