Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.56 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | BAX | Q07812 | 2/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1967596 | 0.81 | HSP90AA1 (0.58) | HSP90AA1GPR35HIF1ATSHRALDH1A1 | |
| SCHEMBL1531296 | 0.79 | HSP90AA1 (0.84) | HSP90AA1GPR35HIF1ATSHRALDH1A1 | |
| SCHEMBL28092025 | 0.77 | CHRNB4 (0.67) | HSP90AA1HIF1ATSHRALDH1A1CHRNB4 | |
| SCHEMBL6608231 | 0.76 | HSP90AA1 (0.51) | HSP90AA1HIF1ATSHRALDH1A1CHRNB4 | |
| SCHEMBL430993 | 0.72 | CYP3A4 (0.53) | HSP90AA1TSHRALDH1A1CHRNB4CHRNA3 | |
| SCHEMBL28164210 | 0.72 | HSD17B10 (0.58) | HSP90AA1TSHRALDH1A1SMN1; SMN2CHRNB4 | |
| SCHEMBL25886876 | 0.72 | HSP90AA1 (0.51) | HSP90AA1HIF1ATSHRALDH1A1CHRNB4 | |
| SCHEMBL6606714 | 0.72 | ALDH1A1 (0.58) | HSP90AA1TSHRALDH1A1SMN1; SMN2CHRNB4 | |
| SCHEMBL28255849 | 0.72 | HTT (0.53) | HSP90AA1ALDH1A1TP53SMN1; SMN2CHRNB4 | |
| SCHEMBL11341964 | 0.72 | HSP90AA1 (1.00) | HSP90AA1GPR35HIF1ATSHRALDH1A1 |
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-2509954-A1 | 4 -OXO- 1H -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2012-10-17 | — | — | EP | disclosed |
| WO-2011072241-A1 | 4 -OXO- IH -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-16 | — | — | WO | disclosed |