Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD5 | P21918 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21708854 | 0.83 | CGAS (0.33) | CA12CA1CA2CA4CA9 | |
| SCHEMBL21709269 | 0.76 | BCHE (0.39) | CA12CA1CA2CA4CA9 | |
| SCHEMBL21708853 | 0.75 | BCHE (0.36) | CA12CA1CA2CA4CA9 | |
| SCHEMBL21708880 | 0.74 | CA12 (0.43) | CA12CA1CA2CA4CA9 | |
| SCHEMBL21709097 | 0.73 | HTR1D (0.45) | HTR1ACYP2D6DRD2ADRA1DADRA1A | |
| SCHEMBL21709141 | 0.73 | TSHR (0.35) | CA12CA1CA2CA4CA9 | |
| SCHEMBL21709190 | 0.73 | HMGCR (0.40) | CYP3A4CYP2D6DRD2TSHRNFKB1 | |
| SCHEMBL21709105 | 0.70 | HTR1D (0.42) | HTR1ACYP3A4CYP2D6TSHRDRD1 | |
| SCHEMBL21709148 | 0.70 | ACHE (0.35) | MAOAMAOB | |
| SCHEMBL21709161 | 0.68 | ADRB2 (0.31) | CYP3A4ADRA1AHSD17B10KDM4E |
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 |