Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPB1 | P04792 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27668224 | 0.85 | ALDH1A1 (0.48) | HSPB1ALDH1A1MAPTPOLBTSHR | |
| SCHEMBL4090307 | 0.84 | HSPB1 (0.47) | HSPB1ALDH1A1MAPTPOLBTHRB | |
| SCHEMBL27796727 | 0.83 | TDP1 (0.51) | ALDH1A1MAPTPOLBTSHRKMT2A | |
| SCHEMBL4087050 | 0.83 | HSPB1 (0.46) | HSPB1ALDH1A1MAPTPOLBTHRB | |
| SCHEMBL27479661 | 0.83 | HSPB1 (0.48) | HSPB1ALDH1A1MAPTPOLBTHRB | |
| SCHEMBL28920607 | 0.81 | HSPB1 (0.47) | HSPB1ALDH1A1MAPTTHRBTSHR | |
| SCHEMBL589644 | 0.80 | TDP1 (0.52) | HSPB1ALDH1A1MAPTPOLBTSHR | |
| SCHEMBL4087052 | 0.79 | HSPB1 (0.43) | HSPB1ALDH1A1MAPTPOLBTSHR | |
| SCHEMBL4087059 | 0.79 | HSPB1 (0.43) | HSPB1ALDH1A1MAPTPOLBTSHR | |
| SCHEMBL16388747 | 0.78 | SMN1; SMN2 (0.45) | HSPB1ALDH1A1MAPTPOLBKMT2A |
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 |