Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX3 | P56373 | 6/20 | 0.33 |
| ▸ | P2RX2 | Q9UBL9 | 6/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SI | P14410 | 1/20 | 0.33 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.32 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21709244 | 0.85 | MAOA (0.32) | MAOA | |
| SCHEMBL21709276 | 0.80 | P2RX3 (0.33) | P2RX3P2RX2PYCR1 | |
| SCHEMBL21709161 | 0.80 | ADRB2 (0.31) | ADRA2AADRA1A | |
| SCHEMBL21709082 | 0.79 | ADRA1A (0.49) | P2RX3P2RX2MGAMGAASI | |
| SCHEMBL21709249 | 0.79 | MAOA (0.31) | MAOA | |
| SCHEMBL21709071 | 0.77 | TUBB4A (0.39) | AOC3MAOAPYCR1CYP51A1 | |
| SCHEMBL21709262 | 0.76 | P2RX3 (0.38) | P2RX3P2RX2MAOAMAOB | |
| SCHEMBL21709159 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL21709269 | 0.70 | BCHE (0.39) | ACHEMAOBPYCR1 | |
| SCHEMBL21708927 | 0.66 | ADRB2 (0.34) | — |
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 |