Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 6/20 | 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 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.31 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GALR3 | O60755 | 1/20 | 0.30 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL21709145 | 0.88 | KDM1A (0.35) | KDM1AMAOAMAOBLMNA | |
| SCHEMBL21709216 | 0.85 | MAOA (0.32) | KDM1AMAOAMAOB | |
| SCHEMBL21708879 | 0.81 | ADRB2 (0.43) | ADRB2DRD2DRD1DRD4DRD3 | |
| SCHEMBL21709054 | 0.80 | SLC22A3 (0.48) | ADRB2DRD2DRD1DRD4DRD3 | |
| SCHEMBL21709053 | 0.79 | KDM1A (0.40) | KDM1AMAOAMAOBADRB2DRD2 | |
| SCHEMBL21708904 | 0.78 | KDM1A (0.37) | KDM1AMAOAMAOB | |
| SCHEMBL21708891 | 0.78 | KDM1A (0.35) | KDM1AMAOAMAOB | |
| SCHEMBL21709219 | 0.78 | MAOA (0.31) | MAOA | |
| SCHEMBL21709163 | 0.74 | ACHE (0.37) | — | |
| SCHEMBL21709214 | 0.72 | — | — |
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 |