Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | CREBBP | Q92793 | 4/20 | 0.40 |
| ▸ | BRD4 | O60885 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | DRD1 | P21728 | 4/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL9055881 | 0.73 | ACHE (0.45) | ACHEMEN1KMT2ADRD1HTR1A | |
| SCHEMBL11087883 | 0.70 | PDE3B (0.45) | ACHEALDH1A1GAA | |
| SCHEMBL13799420 | 0.68 | ACHE (0.47) | ACHE | |
| SCHEMBL12965849 | 0.66 | AR (0.45) | CREBBPBRD4ALDH1A1GAA | |
| SCHEMBL11701223 | 0.66 | PARP1 (0.40) | ACHEMEN1KMT2ADRD1ALDH1A1 | |
| SCHEMBL21762253 | 0.65 | GAA (0.48) | ACHECREBBPBRD4DRD1GAA | |
| SCHEMBL12059598 | 0.64 | ACHE (1.00) | ACHEMEN1KMT2AALDH1A1CYP1A2 | |
| SCHEMBL29052203 | 0.64 | DRD2 (0.51) | ACHEDRD1 | |
| SCHEMBL2550589 | 0.63 | ACHE (0.45) | ACHEMEN1KMT2AALDH1A1CYP1A2 | |
| SCHEMBL6984229 | 0.63 | ALDH1A1 (0.36) | ACHEDRD1HTR1AALDH1A1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4017484-A | Cationic dyestuffs | BAYER AKTIENGESELLSCHAFT (DT) | 1977-04-12 | — | — | US | disclosed |