Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 6/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL21709058 | 0.88 | CYP3A4 (0.31) | TSHR | |
| SCHEMBL21709085 | 0.85 | PPARG (0.38) | MAOBTSHR | |
| SCHEMBL21709063 | 0.80 | MAOB (0.36) | MAOBHPGDTSHRLMNAMAOA | |
| SCHEMBL21709212 | 0.80 | — | — | |
| SCHEMBL21708870 | 0.80 | TDP1 (0.34) | HPGDTSHRLMNA | |
| SCHEMBL21709217 | 0.79 | — | — | |
| SCHEMBL21709252 | 0.77 | — | — | |
| SCHEMBL21709067 | 0.76 | KDM1A (0.34) | MAOBHPGDTSHRLMNAMAOA | |
| SCHEMBL21708863 | 0.74 | ALOX15 (0.31) | TSHR | |
| SCHEMBL21709057 | 0.72 | CYP3A4 (0.40) | HPGDTSHRLMNAMAOA |
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 |