Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD5 | P21918 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | YWHAG | P61981 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21709180 | 0.85 | CDK8 (0.41) | CYP3A4CYP2D6KDM4EPMP22 | |
| SCHEMBL21709177 | 0.82 | ALOX15 (0.31) | ALOX15 | |
| SCHEMBL21709167 | 0.69 | TDP1 (0.39) | CYP3A4CYP2D6DRD2TSHRNFKB1 | |
| SCHEMBL21709174 | 0.67 | KDM4E (0.33) | NFKB1KDM4EALOX5 | |
| SCHEMBL21709106 | 0.64 | DRD2 (0.49) | CYP3A4CYP2D6DRD2TSHRNFKB1 | |
| SCHEMBL31646764 | 0.63 | POLB (0.39) | TSHR | |
| SCHEMBL3289317 | 0.63 | HIF1A (0.57) | CYP3A4CYP2D6DRD2TSHRNFKB1 | |
| SCHEMBL12629272 | 0.61 | POLB (0.38) | TSHR | |
| SCHEMBL30364339 | 0.60 | HIF1A (0.50) | CYP3A4CYP2D6DRD2TSHRNFKB1 | |
| SCHEMBL26236318 | 0.60 | TSHR (0.44) | TSHR |
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 |