Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 3/20 | 0.63 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.63 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.63 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.43 |
| ▸ | WNT3A | P56704 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 4/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.41 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.41 |
| ▸ | ITGAL | P20701 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | ADK | P55263 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | F7 | P08709 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28776190 | 0.87 | SLC6A2 (0.49) | SLC6A2SLC6A4SLC6A3NPC1AHR | |
| SCHEMBL27742069 | 0.87 | SLC6A2 (0.49) | SLC6A2SLC6A4SLC6A3NPC1PTGS2 | |
| SCHEMBL27838232 | 0.84 | SLC6A2 (0.63) | SLC6A2SLC6A4SLC6A3NPC1CTNNB1 | |
| SCHEMBL27721214 | 0.83 | SLC6A2 (0.49) | SLC6A2SLC6A4SLC6A3NPC1CTNNB1 | |
| SCHEMBL2306870 | 0.81 | SLC6A2 (0.68) | SLC6A2SLC6A4SLC6A3NPC1CTNNB1 | |
| SCHEMBL27721202 | 0.81 | GPR84 (0.48) | SLC6A2SLC6A4SLC6A3NPC1USP2 | |
| SCHEMBL2300668 | 0.80 | SLC6A2 (0.75) | SLC6A2SLC6A4SLC6A3NPC1CTNNB1 | |
| SCHEMBL12427122 | 0.80 | SLC6A2 (0.59) | SLC6A2SLC6A4SLC6A3NPC1CTNNB1 | |
| SCHEMBL2305292 | 0.80 | SLC6A2 (0.59) | SLC6A2SLC6A4SLC6A3NPC1CTNNB1 | |
| SCHEMBL27721199 | 0.80 | SLC6A2 (0.46) | SLC6A2SLC6A4SLC6A3NPC1CTNNB1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101316818-B | 3-amino-1-arylpropyl indoles and aza-substituted indoles | HOFFMANN LA ROCHE | 2011-08-31 | — | — | CN | claimed |
| CN-101316818-A | 3-amino-1-arylpropyl indoles and aza-substituted indoles | HOFFMANN LA ROCHE (CH) | 2008-12-03 | — | — | CN | claimed |
| CN-101316818-B | 3-amino-1-arylpropyl indoles and aza-substituted indoles | HOFFMANN LA ROCHE | 2011-08-31 | — | — | CN | disclosed |
| CN-101316818-A | 3-amino-1-arylpropyl indoles and aza-substituted indoles | HOFFMANN LA ROCHE (CH) | 2008-12-03 | — | — | CN | disclosed |