Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29867463 | 0.97 | NCEH1 (0.36) | NCEH1ALDH1A1CYP2A6TSHRHSD17B10 | |
| SCHEMBL79572 | 0.80 | NCEH1 (0.46) | NCEH1ALDH1A1CYP2A6TSHRHSD17B10 | |
| Naphthalene SCHEMBL11043776 | 0.80 | NCEH1 (0.46) | NCEH1ALDH1A1CYP2A6TSHRHSD17B10 | |
| SCHEMBL20026085 | 0.79 | TSHR (0.47) | NCEH1ALDH1A1CYP2A6TSHRHSD17B10 | |
| SCHEMBL29781079 | 0.78 | NCEH1 (0.45) | NCEH1ALDH1A1CYP2A6TSHRHSD17B10 | |
| SCHEMBL10557357 | 0.78 | NCEH1 (0.45) | NCEH1ALDH1A1CYP2A6TSHRHSD17B10 | |
| SCHEMBL10557353 | 0.78 | NCEH1 (0.45) | NCEH1ALDH1A1CYP2A6TSHRHSD17B10 | |
| SCHEMBL2020430 | 0.78 | NCEH1 (0.45) | NCEH1ALDH1A1CYP2A6TSHRHSD17B10 | |
| SCHEMBL9614446 | 0.78 | NCEH1 (0.45) | NCEH1ALDH1A1CYP2A6TSHRHSD17B10 | |
| SCHEMBL23527416 | 0.77 | NISCH (0.37) | ALDH1A1CYP2A6TSHRHSD17B10TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115651723-A | Coal water slurry composite additive and preparation method thereof | 苏州永峰联环保科技有限公司 | 2023-01-31 | — | — | CN | disclosed |
| CN-113512448-B | Additive composition for coal water slurry | 上海帜鼎新材料科技有限公司 | 2022-08-16 | — | — | CN | disclosed |