Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.33 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | HTR2B | P41595 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.31 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | PGK1 | P00558 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21708902 | 0.90 | ADRA2A (0.35) | MAOBADRA2AADRA1AHPGDLMNA | |
| SCHEMBL21709247 | 0.82 | LOXL2 (0.32) | MAOBLOXL2HTR2CHTR2BHTR2A | |
| SCHEMBL21709244 | 0.81 | MAOA (0.32) | — | |
| SCHEMBL21708904 | 0.81 | KDM1A (0.37) | MAOBP2RX3P2RX2PGK1EGFR | |
| SCHEMBL21709082 | 0.81 | ADRA1A (0.49) | ADRA2AADRA1ATSHRLMNAP2RX3 | |
| SCHEMBL21709155 | 0.77 | NFKB1 (0.35) | MAOBADRA2AADRA1AHPGDTSHR | |
| SCHEMBL21708896 | 0.75 | NFKB1 (0.49) | MAOBADRA2AADRA1AHPGDTSHR | |
| SCHEMBL21709245 | 0.75 | P2RX3 (0.31) | P2RX3P2RX2 | |
| SCHEMBL21709249 | 0.73 | MAOA (0.31) | — | |
| SCHEMBL21708858 | 0.71 | HTR2A (0.42) | MAOBLOXL2HTR2CHTR2BHTR2A |
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 |