Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.33 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 2/20 | 0.32 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.32 |
| ▸ | ABAT | P80404 | 1/20 | 0.32 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | UNG | P13051 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27471075 | 0.87 | KDM4E (0.39) | ALDH1A1KDM4EPTGS2RAB9ACYP2A6 | |
| SCHEMBL27476532 | 0.74 | ALDH1A1 (0.33) | ALDH1A1KDM4EPTGS2RAB9ACYP2A6 | |
| SCHEMBL2915154 | 0.72 | DYRK1A (0.32) | ALDH1A1KDM4E | |
| SCHEMBL1247719 | 0.68 | GAA (0.43) | ALDH1A1KDM4ECYP2A6TSHRHSD17B10 | |
| SCHEMBL6648586 | 0.68 | TNKS2 (0.39) | ALDH1A1KDM4EPTGS2RAB9ACYP2A6 | |
| SCHEMBL34259 | 0.66 | GAA (0.48) | — | |
| Formic Acid Methyl Ester SCHEMBL17215301 | 0.66 | MAPT (0.35) | RAB9A | |
| SCHEMBL8886564 | 0.65 | ALDH1A1 (0.46) | ALDH1A1KDM4EPTGS2RAB9ACYP2A6 | |
| SCHEMBL9160695 | 0.65 | NAMPT (0.39) | ALDH1A1KDM4ERAB9A | |
| Bromide SCHEMBL10654286 | 0.65 | GAA (0.46) | — |
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-116725967-A | Valicarb isopropyl compound and process for producing the same | 帕尔制药公司 | 2023-09-12 | — | — | CN | disclosed |