Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.45 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.45 |
| ▸ | GRIA3 | P42263 | 2/20 | 0.45 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29212238 | 1.00 | TSHR (0.57) | TSHRKDM4EALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL4920622 | 0.86 | TSHR (0.56) | TSHRKDM4EALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL7329776 | 0.80 | GRIA1 (0.51) | CYP1A2GRIA1GRIA2GRIA3GRIA4 | |
| SCHEMBL25281274 | 0.76 | HPGD (0.66) | TSHRKDM4EALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL10285337 | 0.75 | TSHR (0.58) | TSHRKDM4EALDH1A1CYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL8139919 | 0.73 | PGR (0.46) | TSHRKDM4EALDH1A1HSD17B10 | |
| SCHEMBL10285551 | 0.73 | TSHR (0.56) | TSHRKDM4EALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL1050766 | 0.71 | TSHR (0.57) | TSHRKDM4EALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL29579885 | 0.70 | CYP1A2 (0.69) | TSHRKDM4EALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL982104 | 0.70 | CYP1A2 (0.69) | TSHRKDM4EALDH1A1CYP1A2HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118047727-A | Method for preparing quinoxaline-2, 3-diketone compound by virtue of regioselective photocatalytic oxidation | 浙江工业大学台州研究院 | 2024-05-17 | — | — | CN | disclosed |