Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.36 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.36 |
| ▸ | ABAT | P80404 | 1/20 | 0.36 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.36 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.35 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.35 |
| ▸ | TYR | P14679 | 1/20 | 0.34 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3892476 | 0.86 | ALDH1A1 (0.36) | ALDH1A1TSHRKDM4EPTGS2RAB9A | |
| SCHEMBL29818708 | 0.83 | ALDH1A1 (0.39) | ALDH1A1TSHRKDM4EPTGS2RAB9A | |
| SCHEMBL11328597 | 0.83 | ALDH1A1 (0.42) | ALDH1A1TSHRKDM4EPTGS2RAB9A | |
| SCHEMBL1798644 | 0.79 | MAPT (0.42) | ALDH1A1TSHRPTGS2RAB9ATDP1 | |
| SCHEMBL6853514 | 0.79 | KIF11 (0.53) | ALDH1A1TSHRKDM4EPTGS2RAB9A | |
| SCHEMBL19543117 | 0.79 | ALDH1A1 (0.44) | ALDH1A1TSHRKDM4EPTGS2RAB9A | |
| SCHEMBL15130526 | 0.79 | SRC (0.44) | ALDH1A1TSHRKDM4EPTGS2CYP2A6 | |
| SCHEMBL13889292 | 0.78 | ALDH1A1 (0.38) | ALDH1A1TSHRKDM4EPTGS2RAB9A | |
| SCHEMBL5188027 | 0.78 | ALDH1A1 (0.57) | ALDH1A1TSHRKDM4EPTGS2RAB9A | |
| SCHEMBL3430867 | 0.78 | ALDH1A1 (0.50) | ALDH1A1TSHRKDM4ETDP1TRIM24 |
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-118359553-A | Substituted tetraazamacrocyclic metal complex catalyst and preparation method and application thereof | 陕西煤业化工技术研究院有限责任公司 | 2024-07-19 | — | — | CN | disclosed |