Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 3/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | APEX1 | P27695 | 2/20 | 0.34 |
| ▸ | RECQL | P46063 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21709063 | 0.87 | MAOB (0.36) | HPGDLMNAKMT2ATSHRMAOB | |
| SCHEMBL21708869 | 0.85 | TDP1 (0.49) | NFKB1BLMPMP22HPGDMAPT | |
| SCHEMBL21709056 | 0.83 | NFKB1 (0.61) | NFKB1BLMPMP22HPGDMAPT | |
| SCHEMBL21709058 | 0.82 | CYP3A4 (0.31) | NFKB1CYP3A4TSHRHTR2A | |
| SCHEMBL21709065 | 0.82 | MAOA (0.40) | NFKB1BLMPMP22GAAMAPT | |
| SCHEMBL21709214 | 0.78 | — | — | |
| SCHEMBL21709245 | 0.76 | P2RX3 (0.31) | CGAS | |
| SCHEMBL21709213 | 0.74 | MAOB (0.30) | MAOB | |
| SCHEMBL21709064 | 0.72 | TAAR1 (0.58) | NFKB1BLMPMP22GAAMAPT | |
| SCHEMBL21708896 | 0.71 | NFKB1 (0.49) | NFKB1BLMPMP22HPGDMAPT |
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 |