Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 2/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | CGAS | Q8N884 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.31 |
| ▸ | DRD2 | P14416 | 2/20 | 0.31 |
| ▸ | DRD1 | P21728 | 2/20 | 0.31 |
| ▸ | DRD4 | P21917 | 2/20 | 0.31 |
| ▸ | DRD3 | P35462 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21709067 | 0.88 | KDM1A (0.34) | MAOAKDM1ATSHRMAOBHTR2A | |
| SCHEMBL21708868 | 0.87 | MAPT (0.41) | MAOATSHRCYP3A4NFKB1BLM | |
| SCHEMBL21709054 | 0.85 | SLC22A3 (0.48) | SLC22A3TSHRCYP3A4NFKB1BLM | |
| SCHEMBL21709055 | 0.82 | NFKB1 (0.41) | TSHRCYP3A4MAOBNFKB1HTR2A | |
| SCHEMBL21709216 | 0.81 | MAOA (0.32) | MAOAKDM1AMAOB | |
| SCHEMBL21709250 | 0.78 | MAOA (0.32) | MAOAKDM1AMAOBCGAS | |
| SCHEMBL21709058 | 0.78 | CYP3A4 (0.31) | TSHRCYP3A4NFKB1HTR2A | |
| SCHEMBL21709215 | 0.77 | KDM1A (0.30) | KDM1A | |
| SCHEMBL21709053 | 0.74 | KDM1A (0.40) | MAOASLC22A3KDM1ATSHRCYP3A4 | |
| SCHEMBL21708881 | 0.73 | MAOA (0.33) | MAOAKDM1A |
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 |