Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | SRC | P12931 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 8/20 | 0.45 |
| ▸ | PPARG | P37231 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17190144 | 0.85 | ALDH1A1 (0.57) | PPARAPPARGLMNAALDH1A1CYP3A4 | |
| SCHEMBL3700346 | 0.83 | CYP2D6 (0.46) | CYP2D6SRCPPARAPPARGLMNA | |
| SCHEMBL3128257 | 0.83 | CYP2D6 (0.46) | CYP2D6SRCPPARAPPARGLMNA | |
| SCHEMBL17653645 | 0.82 | PPARA (0.49) | CYP2D6SRCPPARAPPARGLMNA | |
| SCHEMBL3631568 | 0.82 | CYP2D6 (0.45) | CYP2D6SRCPPARAPPARGLMNA | |
| SCHEMBL6504745 | 0.82 | PPARA (0.49) | CYP2D6SRCPPARAPPARGLMNA | |
| SCHEMBL2553482 | 0.82 | PPARA (0.49) | CYP2D6SRCPPARAPPARGLMNA | |
| SCHEMBL27929472 | 0.82 | ALOX15 (0.45) | CYP2D6SRCPPARAPPARGLMNA | |
| SCHEMBL5642476 | 0.81 | PDPK1 (0.44) | CYP2D6SRCPPARAPPARGLMNA | |
| SCHEMBL893601 | 0.81 | PDPK1 (0.44) | CYP2D6SRCPPARAPPARGLMNA |
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-2109610-A1 | 6-BENZYL-2,3,4,7-TETRAHYDRO-INDOLO [2, 3-C] QUINOLINE COMPOUNDS USEFUL AS PDE5 INHIBITORS | Nycomed GmbH (DE) | 2009-10-21 | — | — | EP | disclosed |
| WO-2008095835-A1 | 6-BENZYL-2,3,4,7-TETRAHYDRO-INDOLO [2, 3-C] QUINOLINE COMPOUNDS USEFUL AS PDE5 INHIBITORS | NYCOMED GMBH (DE) | 2008-08-14 | — | — | WO | disclosed |