Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.67 |
| ▸ | ALDH5A1 | P51649 | 2/20 | 0.67 |
| ▸ | ABAT | P80404 | 2/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | TYR | P14679 | 1/20 | 0.57 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.57 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.52 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | EGFR | P00533 | 1/20 | 0.50 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.44 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL31171 | 0.89 | CYP2A6 (0.69) | CYP2A6ALDH5A1ABATHSD17B10ALDH1A1 | |
| SCHEMBL4956384 | 0.89 | CYP2A6 (0.69) | CYP2A6ALDH5A1ABATHSD17B10ALDH1A1 | |
| 4-Hydroxybenzaldehyde SCHEMBL28460767 | 0.88 | ALDH5A1 (0.89) | CYP2A6ALDH5A1ABATHSD17B10ALDH1A1 | |
| Methyl Alcohol SCHEMBL28044962 | 0.86 | HSD17B10 (0.84) | CYP2A6ALDH5A1ABATHSD17B10ALDH1A1 | |
| Methyl Alcohol SCHEMBL28227404 | 0.86 | CYP2A6 (0.52) | CYP2A6ALDH5A1ABATHSD17B10ALDH1A1 | |
| Phosphine SCHEMBL27461872 | 0.85 | CYP2A6 (0.65) | CYP2A6ALDH5A1ABATHSD17B10ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28807787 | 0.85 | CYP2A6 (0.65) | CYP2A6ALDH5A1ABATHSD17B10ALDH1A1 | |
| Water SCHEMBL29197442 | 0.85 | CYP2A6 (0.65) | CYP2A6ALDH5A1ABATHSD17B10ALDH1A1 | |
| Alcohol SCHEMBL28077246 | 0.84 | ALDH1A1 (0.58) | CYP2A6ALDH5A1ABATHSD17B10ALDH1A1 | |
| Benzaldehyde SCHEMBL6840573 | 0.84 | ALDH1A1 (0.82) | CYP2A6ALDH5A1ABATHSD17B10ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112755239-A | Composite porous microsphere and preparation method and application thereof | 上海市肿瘤研究所 | 2021-05-07 | — | — | CN | disclosed |
| CN-105189606-B | method for purifying polyethylene glycol having one amino group | 日油株式会社 | 2017-06-09 | — | — | CN | disclosed |
| CN-101563309-B | Method for purifying terephthalaldehyde | LG CHEMICAL LTD | 2012-07-04 | — | — | CN | disclosed |
| CN-101563309-A | Method for purifying terephthalaldehyde | LG CHEMICAL LTD (KR) | 2009-10-21 | — | — | CN | disclosed |