Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29634588 | 0.89 | CA12 (0.65) | HTR2ACYP2D6ADRA1ACA12CA1 | |
| SCHEMBL258418 | 0.89 | CA12 (0.65) | HTR2ACYP2D6ADRA1ACA12CA1 | |
| SCHEMBL5634995 | 0.87 | CA12 (0.62) | HTR2ACYP2D6ADRA1ACA12CA1 | |
| SCHEMBL9383598 | 0.82 | CA12 (0.61) | HTR2ACYP2D6CA12CA1CA2 | |
| Propylamine SCHEMBL27607874 | 0.81 | ADRA1A (0.56) | HTR2AADRA2AADRA1ACA12CA1 | |
| SCHEMBL3931086 | 0.80 | ALDH1A1 (0.52) | CYP2D6CA12CA1CA2CA7 | |
| SCHEMBL31063385 | 0.80 | ALDH1A1 (0.52) | CYP2D6CA12CA1CA2CA7 | |
| SCHEMBL38657587 | 0.79 | ALDH1A1 (0.56) | HTR2AADRA1ACA12CA1CA2 | |
| SCHEMBL20969733 | 0.78 | HTR2A (0.46) | HTR2AMEN1KMT2AALDH1A1TAAR1 | |
| SCHEMBL30385392 | 0.78 | HTR2A (0.46) | HTR2AMEN1KMT2AALDH1A1TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105636438-A | Pharmaceutical composition comprising an AMPK activator and a serotonin active agent and uses thereof | CHEN JIANHONG | 2016-06-01 | — | — | CN | claimed |
| CN-105636438-A | Pharmaceutical composition comprising an AMPK activator and a serotonin active agent and uses thereof | CHEN JIANHONG | 2016-06-01 | — | — | CN | disclosed |