Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | BID | P55957 | 3/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.44 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.44 |
| ▸ | BAK1 | Q16611 | 2/20 | 0.44 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | EP300 | Q09472 | 1/20 | 0.44 |
| ▸ | KAT2A | Q92830 | 1/20 | 0.44 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.44 |
| ▸ | KAT5 | Q92993 | 1/20 | 0.44 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.44 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TYR | P14679 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11527209 | 0.98 | BID (0.47) | HTR1ABIDMCL1BCL2L1BAK1 | |
| SCHEMBL11521034 | 0.95 | HTR1A (0.47) | HTR1ABIDMCL1BCL2L1BAK1 | |
| SCHEMBL6570739 | 0.85 | HTR1A (0.47) | HTR1ABIDMCL1BCL2L1BAK1 | |
| SCHEMBL27833278 | 0.84 | BID (0.48) | HTR1ABIDMCL1BCL2L1BAK1 | |
| SCHEMBL27505506 | 0.84 | HTR1A (0.51) | HTR1ABIDMCL1BCL2L1BAK1 | |
| SCHEMBL28319321 | 0.84 | HTR1A (0.46) | HTR1ABIDMCL1BCL2L1BAK1 | |
| SCHEMBL30969 | 0.82 | LIPG (0.60) | HTR1ABIDMCL1BCL2L1BAK1 | |
| SCHEMBL30361248 | 0.82 | LIPG (0.60) | HTR1ABIDMCL1BCL2L1BAK1 | |
| SCHEMBL9321974 | 0.81 | LIPG (0.63) | HTR1ABIDMCL1BCL2L1BAK1 | |
| SCHEMBL273583 | 0.81 | LIPG (0.63) | HTR1ABIDMCL1BCL2L1BAK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4134970-A | Quaternary ammonium compounds and their use in hair care compositions | HOECHST AKTIENGESELLSCHAFT (DE) | 1979-01-16 | — | — | US | disclosed |
| US-4118324-A | OXYALKYLENE QUATERNARY AMMONIUM COMPOUND | HOECHST AKTIENGESELLSCHAFT (DE) | 1978-10-03 | — | — | US | disclosed |