Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.38 |
| ▸ | HCAR1 | Q9BXC0 | 2/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CCR1 | P32246 | 4/20 | 0.34 |
| ▸ | CCR2 | P41597 | 4/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.33 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16196993 | 1.00 | RAB9A (0.41) | RAB9ATDP1HTTAKR1B1HCAR1 | |
| SCHEMBL21385220 | 0.84 | HTT (0.40) | RAB9ATDP1HTTAKR1B1HSP90AA1 | |
| SCHEMBL8723259 | 0.83 | TDP1 (0.42) | RAB9ATDP1HTTAKR1B1HCAR1 | |
| SCHEMBL30947126 | 0.81 | HCAR1 (0.55) | RAB9AHTTHCAR1ALOX15TSHR | |
| SCHEMBL22206481 | 0.81 | HCAR1 (0.55) | RAB9AHTTHCAR1ALOX15TSHR | |
| SCHEMBL21384891 | 0.80 | HTT (0.42) | RAB9ATDP1HTTAKR1B1HSP90AA1 | |
| SCHEMBL19643978 | 0.77 | MEN1 (0.44) | HCAR1RXFP1PKM | |
| SCHEMBL21382530 | 0.75 | HTT (0.38) | RAB9ATDP1HTTAKR1B1 | |
| SCHEMBL27187357 | 0.74 | CRBN (0.42) | AKR1B1HCAR1RXFP1DGAT1ALOX15 | |
| SCHEMBL21382260 | 0.74 | MEN1 (0.44) | HTTRXFP1ALOX15TSHR |
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 |