Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 10/20 | 0.63 |
| ▸ | MAPT | P10636 | 9/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 9/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.63 |
| ▸ | ADRB1 | P08588 | 6/20 | 0.63 |
| ▸ | MEN1 | O00255 | 5/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.63 |
| ▸ | DRD2 | P14416 | 5/20 | 0.63 |
| ▸ | TSHR | P16473 | 4/20 | 0.63 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.63 |
| ▸ | DRD3 | P35462 | 4/20 | 0.63 |
| ▸ | DRD1 | P21728 | 4/20 | 0.63 |
| ▸ | MTOR | P42345 | 3/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.63 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.63 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.63 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL21709054 | 0.82 | SLC22A3 (0.48) | ADRB2MAPTTDP1KDM4EADRB1 | |
| SCHEMBL25100811 | 0.81 | MAPT (0.69) | ADRB2MAPTTDP1KDM4EADRB1 | |
| SCHEMBL3222614 | 0.81 | MAPT (0.69) | ADRB2MAPTTDP1KDM4EADRB1 | |
| SCHEMBL9768173 | 0.81 | MAPT (0.69) | ADRB2MAPTTDP1KDM4EADRB1 | |
| SCHEMBL31530707 | 0.81 | ADRB2 (0.68) | ADRB2MAPTTDP1KDM4EADRB1 | |
| SCHEMBL31530706 | 0.81 | ADRB2 (0.68) | ADRB2MAPTTDP1KDM4EADRB1 | |
| Hydrochloric Acid SCHEMBL3216930 | 0.80 | ADRB2 (0.70) | ADRB2MAPTTDP1KDM4EADRB1 | |
| Hydrochloric Acid SCHEMBL29519228 | 0.80 | ADRB2 (0.70) | ADRB2MAPTTDP1KDM4EADRB1 | |
| SCHEMBL4847807 | 0.80 | MAPT (0.68) | ADRB2MAPTTDP1KDM4EADRB1 | |
| SCHEMBL28151492 | 0.80 | ADRB2 (0.66) | ADRB2MAPTTDP1KDM4EADRB1 |
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 |