Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 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 | |
|---|---|---|---|---|
| SCHEMBL22288225 | 0.96 | HPRT1 (0.58) | HPRT1ALDH1A1TSHRHSD17B10CYP2A6 | |
| SCHEMBL597946 | 0.85 | ALDH1A1 (0.57) | HPRT1ALDH1A1TSHRHSD17B10CYP2A6 | |
| SCHEMBL6055103 | 0.85 | HPRT1 (0.54) | HPRT1ALDH1A1TSHRHSD17B10CYP2A6 | |
| Hydrogen Peroxide SCHEMBL6286755 | 0.84 | CYP1A2 (0.56) | ALDH1A1TSHRCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL66681 | 0.83 | ALDH1A1 (0.60) | ALDH1A1TSHRHSD17B10CYP2A6TDP1 | |
| SCHEMBL11665040 | 0.83 | CYP1A2 (0.54) | HPRT1ALDH1A1TSHRHSD17B10CYP2A6 | |
| SCHEMBL6055122 | 0.81 | HPRT1 (0.50) | HPRT1ALDH1A1TSHRHSD17B10CYP2A6 | |
| SCHEMBL1199043 | 0.81 | ALDH1A1 (0.58) | ALDH1A1TSHRCYP2A6CYP1A2CYP2C9 | |
| SCHEMBL1199042 | 0.81 | ALDH1A1 (0.58) | ALDH1A1TSHRCYP2A6CYP1A2CYP2C9 | |
| SCHEMBL9614515 | 0.81 | ALDH1A1 (0.58) | ALDH1A1TSHRCYP2A6CYP1A2CYP2C9 |
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-106596775-B | The detection method of ten tetrahydro -1,4A- dimethyl -7- (1- Methylethyl) -1- phenanthrene methanols in plastics | 广电计量检测（成都）有限公司 | 2019-06-07 | — | — | CN | disclosed |