Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 6/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.41 |
| ▸ | MTOR | P42345 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21709065 | 0.87 | MAOA (0.40) | MAPTADRB2ADRB1TSHRALDH1A1 | |
| SCHEMBL21708881 | 0.80 | MAOA (0.33) | MAOA | |
| SCHEMBL21708869 | 0.80 | TDP1 (0.49) | MAPTADRB2TDP1KDM4EHSD17B10 | |
| SCHEMBL21709067 | 0.80 | KDM1A (0.34) | MAPTTSHRKMT2ALMNAHPGD | |
| SCHEMBL21708856 | 0.78 | ADRB2 (0.63) | MAPTADRB2TDP1KDM4EHSD17B10 | |
| SCHEMBL21709151 | 0.77 | MAOA (0.32) | MAOA | |
| SCHEMBL21708867 | 0.76 | ALOX15 (0.32) | TSHRALOX12 | |
| SCHEMBL21708870 | 0.75 | TDP1 (0.34) | MAPTADRB2TDP1KDM4EHSD17B10 | |
| SCHEMBL21709216 | 0.72 | MAOA (0.32) | MAOA | |
| SCHEMBL21566671 | 0.68 | MAPT (0.50) | MAPTADRB2TDP1KDM4EHSD17B10 |
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 |