Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | MAPT | P10636 | 6/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | CASP1 | P29466 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSPA9 | P38646 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | PRKCI | P41743 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.34 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.34 |
| ▸ | RET | P07949 | 2/20 | 0.34 |
| ▸ | MET | P08581 | 2/20 | 0.34 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.34 |
| ▸ | FLT1 | P17948 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1950126 | 0.74 | PRKCI (0.35) | ALDH1A1MAPTKDM4ELMNACASP1 | |
| SCHEMBL2978073 | 0.74 | RARA (0.38) | ALDH1A1MAPTKDM4ELMNACASP1 | |
| SCHEMBL21750723 | 0.72 | HSPA9 (0.65) | ALDH1A1MAPTKDM4ELMNAHSPA9 | |
| SCHEMBL3591085 | 0.72 | NR1H2 (0.37) | ALDH1A1MAPTKDM4ELMNACASP1 | |
| SCHEMBL8130283 | 0.72 | AR (0.43) | ALDH1A1MAPTKDM4ELMNACASP1 | |
| SCHEMBL4000282 | 0.72 | ALDH1A1 (0.35) | ALDH1A1MAPTKDM4ELMNACASP1 | |
| SCHEMBL14472100 | 0.72 | ALDH1A1 (0.35) | ALDH1A1MAPTKDM4ELMNACASP1 | |
| SCHEMBL1950822 | 0.72 | MAPT (0.35) | ALDH1A1MAPTKDM4ELMNACASP1 | |
| SCHEMBL216072 | 0.71 | ATAD2 (0.41) | ALDH1A1MAPTKDM4ELMNAMEN1 | |
| SCHEMBL9067029 | 0.71 | MAPT (0.44) | ALDH1A1MAPTKDM4ELMNACASP1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3705477-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2020-09-09 | — | — | EP | disclosed |
| EP-3216787-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2017-09-13 | — | — | EP | disclosed |
| EP-2502911-B1 | Modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2017-04-05 | — | — | EP | disclosed |
| EP-1773816-B1 | Modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2015-01-07 | — | — | EP | disclosed |
| EP-2532650-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-12-12 | — | — | EP | disclosed |
| EP-2530075-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-12-05 | — | — | EP | disclosed |
| EP-2522659-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-11-14 | — | — | EP | disclosed |
| EP-2502902-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-09-26 | — | — | EP | disclosed |
| EP-2502912-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-09-26 | — | — | EP | disclosed |
| EP-2502911-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-09-26 | — | — | EP | disclosed |
| EP-2502914-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-09-26 | — | — | EP | disclosed |
| EP-2502913-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-09-26 | — | — | EP | disclosed |
| EP-2489659-A1 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-08-22 | — | — | EP | disclosed |