Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 2/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CPT2 | P23786 | 1/20 | 0.31 |
| ▸ | CPT1A | P50416 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.30 |
| ▸ | PDE3A | Q14432 | 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 | |
|---|---|---|---|---|
| SCHEMBL21385013 | 1.00 | HTT (0.48) | HTTGPR119IDO1PARP1ALDH1A1 | |
| SCHEMBL21384959 | 0.75 | GPR119 (0.47) | HTTGPR119PARP1TDP1CCNA2 | |
| SCHEMBL30947079 | 0.75 | GPR119 (0.47) | HTTGPR119PARP1TDP1CCNA2 | |
| SCHEMBL1786748 | 0.75 | HTT (0.60) | HTTALDH1A1PKMHSD17B10KMT2A | |
| SCHEMBL8718367 | 0.74 | HTT (0.51) | HTTGPR119ALDH1A1HSD17B10TDP1 | |
| SCHEMBL21382485 | 0.73 | HTT (0.38) | HTTGPR119ALDH1A1HSD17B10TDP1 | |
| SCHEMBL30947236 | 0.73 | HTT (0.38) | HTTGPR119ALDH1A1HSD17B10TDP1 | |
| SCHEMBL792758 | 0.73 | HTT (0.50) | HTTGPR119ALDH1A1PKMHSD17B10 | |
| SCHEMBL21434861 | 0.72 | HTT (0.50) | HTTGPR119ALDH1A1PKMTDP1 | |
| SCHEMBL21382266 | 0.72 | HTT (0.47) | HTTGPR119ALDH1A1PKMHSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118894816-A | 3, 3-Difluoroallylamine or salt thereof and pharmaceutical composition comprising the same | 柳韩洋行 | 2024-11-05 | — | — | CN | disclosed |
| CN-113330001-B | 3, 3-Difluoroallylamine or salt thereof and pharmaceutical composition comprising the same | 柳韩洋行 | 2024-07-02 | — | — | CN | disclosed |