Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.39 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7929953 | 0.83 | POLB (0.70) | HTTPOLBTSHRCYP3A4TDP1 | |
| SCHEMBL2049816 | 0.81 | HTT (0.46) | HTTPOLBTSHRTDP1ALDH1A1 | |
| SCHEMBL7921397 | 0.81 | TDP1 (0.51) | HTTPOLBTSHRCYP3A4TDP1 | |
| SCHEMBL2566274 | 0.79 | CYP3A4 (0.53) | HTTPOLBTSHRCYP3A4TDP1 | |
| SCHEMBL10364342 | 0.78 | NPC1 (0.52) | HTTPOLBTDP1ALDH1A1MAPT | |
| SCHEMBL7029010 | 0.78 | HTT (0.57) | HTTPOLBTSHRCYP3A4TDP1 | |
| SCHEMBL9905070 | 0.78 | HTT (0.45) | HTTPOLBTSHRTDP1ALDH1A1 | |
| SCHEMBL11416556 | 0.77 | ALDH1A1 (0.59) | HTTPOLBCYP3A4TDP1ALDH1A1 | |
| SCHEMBL11216304 | 0.77 | HTT (0.50) | HTTPOLBTSHRTDP1ALDH1A1 | |
| SCHEMBL7929948 | 0.77 | HTT (0.50) | HTTPOLBTSHRTDP1ALDH1A1 |
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 |