Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 6/20 | 0.46 |
| ▸ | HTR2C | P28335 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KCNT1 | Q5JUK3 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 2/20 | 0.36 |
| ▸ | HTR7 | P34969 | 2/20 | 0.36 |
| ▸ | HTR6 | P50406 | 2/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | HTR1E | P28566 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31708144 | 0.82 | HTR2A (0.70) | HTR2AHTR2CKDM4EMEN1KMT2A | |
| SCHEMBL21709092 | 0.80 | HTR2C (0.57) | HTR2AHTR2CCYP2D6HTR1AHTR2B | |
| SCHEMBL21709101 | 0.77 | HTR1A (0.46) | HTR2AHTR2CCYP2D6HTR1AHTR2B | |
| SCHEMBL25057132 | 0.74 | HTR2C (0.68) | HTR2AHTR2CKDM4EMEN1CYP2D6 | |
| SCHEMBL26989205 | 0.72 | HTR2A (0.70) | HTR2AKDM4EMEN1KMT2AKCNT1 | |
| SCHEMBL21709102 | 0.72 | KDM4E (0.42) | HTR2AHTR2CKDM4EMEN1CYP2D6 | |
| SCHEMBL26989142 | 0.69 | MTNR1A (0.60) | HTR2AHTR2CHTR1AALDH1A1HTR2B | |
| SCHEMBL31742959 | 0.69 | HTR2A (0.68) | HTR2AHTR2CKDM4EMEN1CYP2D6 | |
| SCHEMBL29206374 | 0.68 | MPO (0.73) | HTR2AKMT2AHTR1AMPOSLC6A4 | |
| SCHEMBL29992340 | 0.66 | HTR2A (0.76) | HTR2AHTR2CKDM4EMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020032080-A1 | COMPOUND, SALT OF COMPOUND, NEUROMODULATION AGENT, METHOD FOR EVALUATING NEUROMODULATION AGENT, METHOD FOR PRODUCING COMPOUND, AND METHOD FOR PRODUCING SALT OF COMPOUND | 学校法人慶應義塾 | 2020-02-13 | — | — | WO | disclosed |