Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 10/20 | 0.63 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.59 |
| ▸ | ACHE | P22303 | 1/20 | 0.55 |
| ▸ | BCHE | P06276 | 3/20 | 0.54 |
| ▸ | HTR1A | P08908 | 3/20 | 0.52 |
| ▸ | DRD2 | P14416 | 3/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL7430978 | 0.97 | ABCB1 (0.63) | ABCB1ABCG2ACHEBCHEHTR1A | |
| Methyl Alcohol SCHEMBL7428563 | 0.92 | ABCB1 (0.74) | ABCB1ABCG2BCHEHTR1ADRD2 | |
| Ethylamine SCHEMBL7440936 | 0.91 | ABCB1 (0.59) | ABCB1ABCG2ACHEBCHEHTR1A | |
| SCHEMBL7438145 | 0.88 | ABCB1 (0.78) | ABCB1ABCG2BCHEHTR1ADRD2 | |
| Ethylamine SCHEMBL7436575 | 0.88 | ABCB1 (0.59) | ABCB1ABCG2ACHEBCHEHTR1A | |
| Acetonitrile SCHEMBL7437702 | 0.88 | ABCB1 (0.59) | ABCB1ABCG2ACHEBCHEHTR1A | |
| Acetonitrile SCHEMBL7433999 | 0.82 | ABCB1 (0.69) | ABCB1ABCG2BCHEHTR1ADRD2 | |
| Ethylamine SCHEMBL7428437 | 0.82 | ABCB1 (0.69) | ABCB1ABCG2BCHEHTR1ADRD2 | |
| Methyl Alcohol SCHEMBL7443710 | 0.81 | ABCB1 (0.61) | ABCB1ABCG2HTR1ADRD2MEN1 | |
| SCHEMBL21002162 | 0.80 | TAAR1 (0.71) | CHRM2CHRM1CHRM3HDAC1HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0223598-A2 | Catecholamine derivatives, processes for their preparation and pharmaceutical compositions thereof | FISONS plc (GB) | 1987-05-27 | — | — | EP | disclosed |