Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 3/20 | 0.49 |
| ▸ | BLM | P54132 | 5/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | APEX1 | P27695 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | RECQL | P46063 | 3/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.45 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL21709056 | 0.88 | NFKB1 (0.61) | NFKB1BLMPMP22TDP1HPGD | |
| SCHEMBL21709063 | 0.80 | MAOB (0.36) | HPGDLMNAKMT2ATSHRMAOB | |
| SCHEMBL21709053 | 0.80 | KDM1A (0.40) | NFKB1TDP1KDM4EMAPTRECQL | |
| SCHEMBL7143077 | 0.79 | NFKB1 (0.57) | NFKB1BLMPMP22TDP1HPGD | |
| SCHEMBL21709144 | 0.77 | NFKB1 (0.41) | NFKB1BLMPMP22TDP1HPGD | |
| SCHEMBL21709155 | 0.77 | NFKB1 (0.35) | NFKB1BLMPMP22TDP1HPGD | |
| SCHEMBL21708865 | 0.75 | MAOB (0.33) | BLMTDP1HPGDKDM4EAPEX1 | |
| SCHEMBL7148513 | 0.74 | NFKB1 (0.48) | NFKB1BLMPMP22TDP1HPGD | |
| SCHEMBL9070525 | 0.74 | NFKB1 (0.48) | NFKB1BLMPMP22TDP1HPGD | |
| SCHEMBL16774308 | 0.73 | PPARG (0.51) | DRD2KMT2AHIF1AMAOB |
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 |