Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | RAD52 | P43351 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | APEX1 | P27695 | 2/20 | 0.36 |
| ▸ | GAPDH | P04406 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | AGO2 | Q9UKV8 | 1/20 | 0.35 |
| ▸ | CGAS | Q8N884 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21708858 | 0.88 | HTR2A (0.42) | HTR2AMAOBTAAR1 | |
| SCHEMBL21708864 | 0.81 | HTR2A (0.33) | HTR2AMAPTCGAS | |
| SCHEMBL21708854 | 0.81 | CGAS (0.33) | CGASMAOB | |
| SCHEMBL21708902 | 0.75 | ADRA2A (0.35) | MEN1KMT2ARAD52RECQLTDP1 | |
| SCHEMBL21709064 | 0.74 | TAAR1 (0.58) | MEN1KMT2ARECQLTDP1APEX1 | |
| SCHEMBL21709153 | 0.73 | TAAR1 (0.36) | HTR2AMEN1KMT2ARECQLTDP1 | |
| SCHEMBL21709245 | 0.72 | P2RX3 (0.31) | CGAS | |
| SCHEMBL21709091 | 0.71 | TAAR1 (0.53) | HTR2ATAAR1 | |
| SCHEMBL26011914 | 0.70 | HTR2A (0.61) | HTR2ATAAR1 | |
| SCHEMBL21709157 | 0.69 | HTR2A (0.40) | HTR2AKDM4EMAPK1TSHRMAOB |
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 |