Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | BLM | P54132 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL370408 | 0.90 | CA12 (0.62) | ADRA1ACYP2D6CA1CA2CA12 | |
| SCHEMBL29809608 | 0.90 | CA12 (0.62) | ADRA1ACYP2D6CA1CA2CA12 | |
| SCHEMBL178391 | 0.81 | CA12 (0.47) | HTR2AADRA1ACYP2D6ADRA2ACA1 | |
| SCHEMBL14268252 | 0.81 | LMNA (0.49) | CA1CA2CA12CA7CA9 | |
| Isopropylamine SCHEMBL28069314 | 0.78 | HTR2A (0.56) | HTR2AADRA1ACYP2D6ADRA2ACA1 | |
| SCHEMBL23123468 | 0.77 | PDE2A (0.53) | HTR2AADRA1ACYP2D6ADRA2AMEN1 | |
| SCHEMBL10361055 | 0.77 | AKT1 (0.45) | HTR2ACA1CA2MEN1KMT2A | |
| SCHEMBL17939984 | 0.77 | AKT1 (0.45) | HTR2ACA1CA2MEN1KMT2A | |
| SCHEMBL30932944 | 0.77 | PDE2A (0.53) | HTR2AADRA1ACYP2D6ADRA2AMEN1 | |
| SCHEMBL29573914 | 0.77 | AKT1 (0.45) | HTR2ACA1CA2MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-105636438-A | Pharmaceutical composition comprising an AMPK activator and a serotonin active agent and uses thereof | CHEN JIANHONG | 2016-06-01 | — | — | CN | claimed |