Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 4/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | APEX1 | P27695 | 3/20 | 0.34 |
| ▸ | RECQL | P46063 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | CGAS | Q8N884 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21708865 | 0.90 | MAOB (0.33) | ADRA2AADRA1AADRB2ADRA2BADRA2C | |
| SCHEMBL21709245 | 0.85 | P2RX3 (0.31) | CGASP2RX3P2RX2 | |
| SCHEMBL21709249 | 0.83 | MAOA (0.31) | — | |
| SCHEMBL21708891 | 0.83 | KDM1A (0.35) | CGASMAOB | |
| SCHEMBL21708877 | 0.75 | HTR2A (0.39) | CYP3A4HSD17B10BLMMAPTAPEX1 | |
| SCHEMBL21709056 | 0.75 | NFKB1 (0.61) | ADRA2AADRA1AADRB2ADRA2BADRA2C | |
| SCHEMBL21709082 | 0.74 | ADRA1A (0.49) | ADRA2AADRA1ABLMNFKB1PMP22 | |
| SCHEMBL21709155 | 0.73 | NFKB1 (0.35) | ADRA2AADRA1AADRB2ADRA2BADRA2C | |
| SCHEMBL21709247 | 0.72 | LOXL2 (0.32) | MAOBP2RX3P2RX2 | |
| SCHEMBL21708904 | 0.72 | KDM1A (0.37) | MAOBP2RX3P2RX2 |
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 |