Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.32 |
| ▸ | KDM1A | O60341 | 2/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21709215 | 0.87 | KDM1A (0.30) | KDM1A | |
| SCHEMBL21708881 | 0.86 | MAOA (0.33) | MAOAKDM1A | |
| SCHEMBL21709164 | 0.85 | KDM1A (0.35) | MAOAKDM1AMAOB | |
| SCHEMBL21709214 | 0.83 | — | — | |
| SCHEMBL21709065 | 0.81 | MAOA (0.40) | MAOAKDM1AMAOB | |
| SCHEMBL21709080 | 0.80 | MAOA (0.34) | MAOA | |
| SCHEMBL21709067 | 0.79 | KDM1A (0.34) | MAOAKDM1AMAOB | |
| SCHEMBL21709250 | 0.79 | MAOA (0.32) | MAOAKDM1AMAOB | |
| SCHEMBL21709217 | 0.79 | — | — | |
| SCHEMBL21709246 | 0.78 | KDM1A (0.32) | KDM1A |
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 |