Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 6/20 | 0.47 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CTRC | Q99895 | 2/20 | 0.34 |
| ▸ | CTSC | P53634 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | METAP2 | P50579 | 1/20 | 0.32 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.32 |
| ▸ | EIF4E | P06730 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21493543 | 1.00 | AKR1B1 (0.47) | AKR1B1TBXAS1HSP90AA1LMNACTRC | |
| SCHEMBL30947332 | 0.90 | AKR1B1 (0.40) | AKR1B1CTRCNOS1METAP2 | |
| SCHEMBL22206466 | 0.90 | AKR1B1 (0.40) | AKR1B1CTRCNOS1METAP2 | |
| SCHEMBL21493503 | 0.75 | KDM4E (0.44) | L3MBTL1MEN1KMT2A | |
| SCHEMBL30693465 | 0.74 | AKR1B1 (0.49) | AKR1B1TBXAS1HSP90AA1LMNACTRC | |
| SCHEMBL21493437 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL22206420 | 0.71 | PKM (0.44) | LMNAMEN1KMT2A | |
| SCHEMBL22206486 | 0.70 | CYP11B1 (0.47) | MEN1KMT2A | |
| SCHEMBL31095721 | 0.67 | HSP90AA1 (0.49) | AKR1B1HSP90AA1LMNACTSCL3MBTL1 | |
| SCHEMBL3741364 | 0.67 | HSP90AA1 (0.49) | AKR1B1HSP90AA1LMNACTSCL3MBTL1 |
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 |