Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.49 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 3/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.40 |
| ▸ | HTR2B | P41595 | 3/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | MPO | P05164 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9772953 | 1.00 | CYP2D6 (0.49) | CYP2D6ADRB3HTR2AMTNR1AGPR84 | |
| SCHEMBL9773000 | 0.87 | ADRB3 (0.59) | CYP2D6ADRB3MEN1KMT2A | |
| SCHEMBL9773011 | 0.87 | ADRB3 (0.59) | CYP2D6ADRB3MEN1KMT2A | |
| SCHEMBL9773100 | 0.84 | ADRB3 (0.52) | CYP2D6ADRB3HTR2AGPR84HTR2B | |
| SCHEMBL9773015 | 0.84 | ADRB3 (0.52) | CYP2D6ADRB3HTR2AGPR84HTR2B | |
| SCHEMBL9773025 | 0.84 | ADRB3 (0.52) | CYP2D6ADRB3HTR2AGPR84HTR2B | |
| SCHEMBL9773082 | 0.78 | CYP2D6 (0.54) | CYP2D6ADRB3HTR2AMTNR1AGPR84 | |
| SCHEMBL9773074 | 0.78 | CYP2D6 (0.54) | CYP2D6ADRB3HTR2AMTNR1AGPR84 | |
| Hydrochloric Acid SCHEMBL9773056 | 0.78 | CYP2D6 (0.53) | CYP2D6ADRB3HTR2AMTNR1AGPR84 | |
| Hydrochloric Acid SCHEMBL9773071 | 0.78 | CYP2D6 (0.53) | CYP2D6ADRB3HTR2AMTNR1AGPR84 |
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-5030640-A | Alpha-heterocyclic ethanolamino alkylindoles, growth promoters and feed efficiency agents for animals, bronchodilators, antidepressants, antiobesity agents | MERCK & CO., INC. (US) | 1991-07-09 | — | — | US | disclosed |