Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.72 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.72 |
| ▸ | MAOB | P27338 | 3/20 | 0.56 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.56 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.56 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.56 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.56 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.56 |
| ▸ | CA12 | O43570 | 3/20 | 0.56 |
| ▸ | CA1 | P00915 | 3/20 | 0.56 |
| ▸ | CA2 | P00918 | 3/20 | 0.56 |
| ▸ | CA7 | P43166 | 3/20 | 0.56 |
| ▸ | CA9 | Q16790 | 3/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.56 |
| ▸ | TYR | P14679 | 3/20 | 0.55 |
| ▸ | F3 | P13726 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL31228704 | 1.00 | NPC1 (0.72) | NPC1L3MBTL1MAOBAKR1B10AKR1B1 | |
| SCHEMBL28385199 | 0.88 | NPC1 (0.57) | NPC1L3MBTL1MAOBAKR1B10AKR1B1 | |
| SCHEMBL28501196 | 0.86 | NPC1 (0.72) | NPC1L3MBTL1MAOBTRPM8LTB4R | |
| SCHEMBL7245709 | 0.84 | L3MBTL1 (0.70) | NPC1L3MBTL1MAOBPTGS2TRPM8 | |
| SCHEMBL28514351 | 0.84 | NPC1 (0.70) | NPC1L3MBTL1MAOBPTGS2TRPM8 | |
| SCHEMBL28887174 | 0.84 | NPC1 (0.70) | NPC1L3MBTL1MAOBTRPM8HSD11B1 | |
| SCHEMBL7245706 | 0.84 | L3MBTL1 (0.70) | NPC1L3MBTL1MAOBPTGS2TRPM8 | |
| N,N-Diethylcinnamamide SCHEMBL23550023 | 0.84 | NPC1 (1.00) | NPC1L3MBTL1TRPM8F3CYP2D6 | |
| N,N-Diethylcinnamamide SCHEMBL4956226 | 0.84 | NPC1 (1.00) | NPC1L3MBTL1TRPM8F3CYP2D6 | |
| N,N-Diethylcinnamamide SCHEMBL4956221 | 0.84 | NPC1 (1.00) | NPC1L3MBTL1TRPM8F3CYP2D6 |
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-118724761-A | Preparation method of novel guanidine benzoate derivatives and application of guanidine benzoate derivatives in pancreatitis | 天津理工大学 | 2024-10-01 | — | — | CN | claimed |
| CN-118724761-A | Preparation method of novel guanidine benzoate derivatives and application of guanidine benzoate derivatives in pancreatitis | 天津理工大学 | 2024-10-01 | — | — | CN | disclosed |