Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.42 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 6/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.34 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.34 |
| ▸ | ABAT | P80404 | 1/20 | 0.34 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19543117 | 0.84 | ALDH1A1 (0.44) | ALDH1A1ALDH1A3CYP2A6TSHRKDM4E | |
| SCHEMBL18727016 | 0.81 | ALDH1A1 (0.42) | ALDH1A1ALDH1A3CYP2A6TSHRKDM4E | |
| Bromide SCHEMBL986860 | 0.79 | TP53 (0.38) | ALDH1A1TDP1 | |
| Hydrochloric Acid SCHEMBL987591 | 0.79 | TP53 (0.38) | ALDH1A1TDP1 | |
| SCHEMBL3559641 | 0.78 | KIF11 (0.51) | ALDH1A1ALDH1A3CYP2A6TSHRKDM4E | |
| SCHEMBL29417764 | 0.78 | KIF11 (0.51) | ALDH1A1ALDH1A3CYP2A6TSHRKDM4E | |
| Acetic Acid SCHEMBL987502 | 0.76 | CYP2C19 (0.35) | ALDH1A1TSHRPTGS2TDP1 | |
| SCHEMBL27872348 | 0.76 | PTGS2 (0.53) | ALDH1A1CYP2A6TSHRKDM4EPTGS2 | |
| Hydrochloric Acid SCHEMBL18281037 | 0.74 | PTGS2 (0.52) | ALDH1A1CYP2A6TSHRKDM4EPTGS2 | |
| SCHEMBL17972841 | 0.73 | CASR (0.41) | ALDH1A1CYP2A6KDM4ETDP1HSD17B10 |
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-116685727-A | Liquid oil and colored polyamide fiber | 东丽纤维研究所（中国）有限公司 | 2023-09-01 | — | — | CN | disclosed |