Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | DRD5 | P21918 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL21708900 | 0.79 | CA12 (0.35) | CA12CA1CA2CA4CA9 | |
| SCHEMBL21708944 | 0.78 | ALOX15 (0.36) | ALOX15ALOX12CYP3A4CYP2D6ACHE | |
| SCHEMBL21709141 | 0.76 | TSHR (0.35) | CA12CA1CA2CA4CA9 | |
| SCHEMBL21708850 | 0.75 | ALOX15 (0.42) | ALOX15ALOX12TSHRPYCR1ACHE | |
| SCHEMBL9589157 | 0.73 | ALOX15 (0.50) | ALOX15ALOX12TSHR | |
| SCHEMBL31490194 | 0.72 | ALOX15 (0.53) | CA2ALOX15ALOX12TSHRKDM4E | |
| SCHEMBL11888425 | 0.72 | TAAR1 (0.53) | ALOX15ALOX12TSHRCYP3A4CYP2D6 | |
| SCHEMBL367973 | 0.72 | ALOX15 (0.53) | CA2ALOX15ALOX12TSHRKDM4E | |
| SCHEMBL21708851 | 0.71 | AOC3 (0.40) | ALOX15ALOX12TSHRCYP2D6 | |
| SCHEMBL11630777 | 0.71 | ALOX15 (0.51) | ALOX15ALOX12TSHRKDM4E |
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 |