Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A3 | O75751 | 1/20 | 0.48 |
| ▸ | ADRB2 | P07550 | 10/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.44 |
| ▸ | DRD2 | P14416 | 4/20 | 0.44 |
| ▸ | DRD3 | P35462 | 4/20 | 0.44 |
| ▸ | DRD1 | P21728 | 3/20 | 0.44 |
| ▸ | DRD4 | P21917 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.42 |
| ▸ | MTOR | P42345 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21709053 | 0.89 | KDM1A (0.40) | SLC22A3ADRB2ADRB1DRD2DRD3 | |
| SCHEMBL21709065 | 0.85 | MAOA (0.40) | SLC22A3ADRB2ADRB1DRD2DRD3 | |
| SCHEMBL21708856 | 0.82 | ADRB2 (0.63) | ADRB2ADRB1DRD2DRD3DRD1 | |
| SCHEMBL21709056 | 0.81 | NFKB1 (0.61) | SLC22A3ADRB2ADRB1DRD2DRD3 | |
| SCHEMBL21709164 | 0.80 | KDM1A (0.35) | SLC22A3ADRB2ADRB1DRD2DRD3 | |
| SCHEMBL21709076 | 0.78 | ADRB2 (0.52) | SLC22A3ADRB2ADRB1DRD2DRD3 | |
| SCHEMBL21709145 | 0.77 | KDM1A (0.35) | LMNA | |
| SCHEMBL21708891 | 0.77 | KDM1A (0.35) | — | |
| SCHEMBL21709057 | 0.76 | CYP3A4 (0.40) | SLC22A3ADRB2ADRB1DRD2DRD1 | |
| SCHEMBL21709060 | 0.73 | ACHE (0.43) | ADRB2DRD2DRD3DRD1DRD4 |
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 |