Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 9/20 | 0.61 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.61 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.61 |
| ▸ | HSPB1 | P04792 | 3/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | PTGES | O14684 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1023034 | 1.00 | SLC6A4 (0.61) | SLC6A4SLC6A2SLC6A3HSPB1CYP19A1 | |
| SCHEMBL1023035 | 1.00 | SLC6A4 (0.61) | SLC6A4SLC6A2SLC6A3HSPB1CYP19A1 | |
| SCHEMBL1023033 | 1.00 | SLC6A4 (0.61) | SLC6A4SLC6A2SLC6A3HSPB1CYP19A1 | |
| SCHEMBL22042142 | 0.84 | HSPB1 (0.49) | SLC6A4SLC6A2SLC6A3HSPB1CYP19A1 | |
| SCHEMBL26644463 | 0.83 | SLC6A4 (0.60) | SLC6A4SLC6A2SLC6A3CYP19A1ALDH1A1 | |
| SCHEMBL22069557 | 0.82 | CYP19A1 (0.55) | HSPB1CYP19A1S1PR4ALDH1A1HIF1A | |
| SCHEMBL26128371 | 0.82 | CYP19A1 (0.52) | HSPB1CYP19A1S1PR4ALDH1A1HIF1A | |
| SCHEMBL1021553 | 0.82 | POLB (0.53) | SLC6A4SLC6A2SLC6A3HSPB1CYP19A1 | |
| SCHEMBL1021552 | 0.82 | POLB (0.53) | SLC6A4SLC6A2SLC6A3HSPB1CYP19A1 | |
| SCHEMBL1021554 | 0.82 | POLB (0.53) | SLC6A4SLC6A2SLC6A3HSPB1CYP19A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1987006-B1 | NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | SANOFI AVENTIS (FR) | 2011-01-12 | — | — | EP | disclosed |