Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.42 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.41 |
| ▸ | PRNP | P04156 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8824112 | 0.92 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP2A6POLBTSHR | |
| SCHEMBL29405063 | 0.92 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP2A6POLBTSHR | |
| SCHEMBL29903148 | 0.92 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP2A6POLBTSHR | |
| SCHEMBL69629 | 0.92 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP2A6POLBTSHR | |
| Naphthalene SCHEMBL8135433 | 0.90 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2A6POLBTSHR | |
| SCHEMBL1248531 | 0.90 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2A6POLBTSHR | |
| Ammonia Solution, Strong SCHEMBL28185178 | 0.90 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2A6POLBTSHR | |
| SCHEMBL9635910 | 0.90 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2A6POLBTSHR | |
| Benzene SCHEMBL28694599 | 0.90 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2A6POLBTSHR | |
| Bromide SCHEMBL27660934 | 0.90 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2A6POLBTSHR |
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-1046528-A | As the new naphthalane base-3H-1 of antihyperglycemic agents, 2,3,5-oxygen thia diazole 2-oxide compound | AMERICAN HOME PROD (US) | 1990-10-31 | — | — | CN | disclosed |