Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.40 |
| ▸ | CNR1 | P21554 | 6/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 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 | |
|---|---|---|---|---|
| SCHEMBL694332 | 0.77 | CA2 (0.42) | CA2CNR1AKR1B1 | |
| SCHEMBL7014167 | 0.76 | CA2 (0.67) | CA2CNR1AKR1B1 | |
| SCHEMBL445877 | 0.71 | CYP2A6 (0.48) | PTGS2 | |
| SCHEMBL7372883 | 0.69 | BRD4 (0.59) | — | |
| SCHEMBL7758397 | 0.68 | FLT3 (0.42) | — | |
| SCHEMBL4467591 | 0.67 | — | — | |
| SCHEMBL4717754 | 0.67 | AOC3 (0.54) | — | |
| SCHEMBL2452605 | 0.67 | DAO (0.31) | — | |
| SCHEMBL4460967 | 0.67 | F11 (0.31) | — | |
| SCHEMBL8205395 | 0.67 | CYP2A6 (0.58) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1960355-A1 | 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES | F.HOFFMANN-LA ROCHE AG (CH) | 2008-08-27 | — | — | EP | disclosed |
| WO-2007062996-A1 | 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-06-07 | — | — | WO | disclosed |