Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 4/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 6/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.39 |
| ▸ | KDM1A | O60341 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 5/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | MTOR | P42345 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21708891 | 0.84 | KDM1A (0.35) | KDM1AMAOAMAOB | |
| SCHEMBL21709262 | 0.81 | P2RX3 (0.38) | ADRB2ADRB1ADRB3KDM1AMAOA | |
| SCHEMBL21709151 | 0.79 | MAOA (0.32) | KDM1AMAOAMAOB | |
| SCHEMBL21708904 | 0.79 | KDM1A (0.37) | KDM1AMAOAMAOB | |
| SCHEMBL21709186 | 0.78 | LMNA (0.35) | ADRA1AADRA2AADRA2BADRA2CADRB2 | |
| SCHEMBL21709147 | 0.77 | TSHR (0.33) | KDM1ATSHR | |
| SCHEMBL21708879 | 0.76 | ADRB2 (0.43) | ADRA1AADRA2AADRA2BADRA2CADRB2 | |
| SCHEMBL21708856 | 0.73 | ADRB2 (0.63) | ADRA1AADRA2AADRA2BADRA2CADRB2 | |
| SCHEMBL21709161 | 0.72 | ADRB2 (0.31) | ADRA1AADRA2AADRA2BADRA2CADRB2 | |
| SCHEMBL21709148 | 0.68 | ACHE (0.35) | MAOAMAOB |
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 |