Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MLYCD | O95822 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 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 | |
|---|---|---|---|---|
| SCHEMBL11336181 | 0.89 | KMT2A (0.41) | KMT2ANPSR1ALDH1A1MEN1L3MBTL1 | |
| SCHEMBL19890709 | 0.85 | KMT2A (0.40) | KMT2ANPSR1ALDH1A1MEN1L3MBTL1 | |
| SCHEMBL11218394 | 0.85 | KDM4E (0.43) | KMT2AALDH1A1MEN1SMN1; SMN2LMNA | |
| SCHEMBL11870700 | 0.84 | MLYCD (0.48) | KMT2AALDH1A1L3MBTL1MLYCDNR1H3 | |
| SCHEMBL18808914 | 0.82 | KMT2A (0.38) | KMT2ANPSR1ALDH1A1MEN1L3MBTL1 | |
| SCHEMBL10938994 | 0.77 | ALDH1A1 (0.45) | KMT2ANPSR1ALDH1A1MEN1L3MBTL1 | |
| SCHEMBL14331424 | 0.76 | HSP90AA1 (0.48) | KMT2ANPSR1ALDH1A1MEN1L3MBTL1 | |
| SCHEMBL3045678 | 0.75 | KMT2A (0.46) | KMT2ANPSR1ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL13096335 | 0.75 | PKM (0.45) | KMT2ANPSR1ALDH1A1MEN1L3MBTL1 | |
| SCHEMBL64494 | 0.75 | CA2 (0.43) | KMT2ANPSR1ALDH1A1MEN1L3MBTL1 |
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 |