Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | DRD1 | P21728 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD5 | P21918 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21709061 | 0.87 | CA12 (0.46) | CA12CA1CA2CA4CA9 | |
| SCHEMBL21709064 | 0.81 | TAAR1 (0.58) | DRD3TSHRDRD1CYP3A4CYP2D6 | |
| SCHEMBL21709160 | 0.78 | CA12 (0.35) | CA12CA1CA2CA4CA9 | |
| SCHEMBL21708854 | 0.76 | CGAS (0.33) | CA12CA1CA2CA4CA9 | |
| SCHEMBL21709060 | 0.75 | ACHE (0.43) | DRD3TSHRDRD1DRD2NFKB1 | |
| SCHEMBL21709156 | 0.74 | BCHE (0.36) | CA12CA1CA2CA4CA9 | |
| SCHEMBL21709075 | 0.74 | CYP1A2 (0.61) | CA2CYP3A4CYP2D6KDM4EPMP22 | |
| SCHEMBL21709057 | 0.73 | CYP3A4 (0.40) | TSHRDRD1CYP3A4CYP2D6DRD2 | |
| SCHEMBL23784797 | 0.70 | CALM1 (0.53) | TSHRTAAR1MAPK1PTPN1 | |
| SCHEMBL7688903 | 0.69 | KDM4E (0.53) | TSHRDRD2KDM4ETAAR1LMNA |
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 |