Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | PTPRC | P08575 | 1/20 | 0.40 |
| ▸ | S100A4 | P26447 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.39 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL13651184 | 0.89 | ALDH1A1 (0.40) | ALDH1A1MAPK1TP53HTTTDP1 | |
| SCHEMBL31144581 | 0.80 | ALDH1A1 (0.40) | ALDH1A1TP53HTTTDP1CYP3A4 | |
| SCHEMBL394065 | 0.79 | TP53 (0.42) | ALDH1A1MAPK1TP53HTTTDP1 | |
| SCHEMBL13748749 | 0.78 | HTT (0.41) | ALDH1A1MAPK1TP53HTTTDP1 | |
| SCHEMBL9807535 | 0.77 | ALDH1A1 (0.42) | ALDH1A1MAPK1TP53HTTL3MBTL1 | |
| SCHEMBL17099460 | 0.76 | ALDH1A1 (0.44) | ALDH1A1TP53HTTTDP1CYP3A4 | |
| SCHEMBL16735812 | 0.76 | ALDH1A1 (0.44) | ALDH1A1TP53HTTTDP1CYP3A4 | |
| SCHEMBL29695698 | 0.75 | MAPK1 (0.52) | ALDH1A1MAPK1TP53HTTTDP1 | |
| SCHEMBL4009107 | 0.75 | MAPK1 (0.52) | ALDH1A1MAPK1TP53HTTTDP1 | |
| SCHEMBL8971685 | 0.74 | HTT (0.46) | ALDH1A1TP53HTTTDP1CYP3A4 |
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-1773816-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006002421-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-01-05 | — | — | WO | disclosed |