Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.68 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.63 |
| ▸ | GAA | P10253 | 2/20 | 0.63 |
| ▸ | MEN1 | O00255 | 5/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 3/20 | 0.57 |
| ▸ | POLB | P06746 | 5/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | APEX1 | P27695 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL28221694 | 0.85 | KMT2A (0.68) | ALDH1A1KMT2AL3MBTL1GAAMEN1 | |
| SCHEMBL25248439 | 0.84 | KMT2A (0.68) | ALDH1A1KMT2AL3MBTL1GAAMEN1 | |
| SCHEMBL13297941 | 0.84 | KMT2A (0.91) | ALDH1A1KMT2AL3MBTL1GAAMEN1 | |
| SCHEMBL12793686 | 0.84 | KMT2A (0.72) | ALDH1A1KMT2AL3MBTL1GAAMEN1 | |
| SCHEMBL3570395 | 0.82 | KMT2A (0.64) | ALDH1A1KMT2AL3MBTL1GAAMEN1 | |
| SCHEMBL12646348 | 0.82 | KMT2A (0.68) | ALDH1A1KMT2AL3MBTL1GAAMEN1 | |
| SCHEMBL20946382 | 0.82 | KMT2A (0.64) | ALDH1A1KMT2AL3MBTL1GAAMEN1 | |
| SCHEMBL19392390 | 0.82 | KMT2A (0.64) | ALDH1A1KMT2AL3MBTL1GAAMEN1 | |
| SCHEMBL1278912 | 0.81 | MAPT (0.73) | ALDH1A1KMT2AL3MBTL1GAAMEN1 | |
| SCHEMBL12169378 | 0.81 | KMT2A (0.67) | ALDH1A1KMT2AL3MBTL1GAAMEN1 |
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-3012250-B1 | ISOQUINOLINE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMA (US) | 2017-11-08 | — | — | EP | disclosed |
| EP-2395002-A1 | Pharmaceutical composition containing a heterocyclic modulator of ATP-binding cassette transporters. | Vertex Pharmaceuticals Incorporated (US) | 2011-12-14 | — | — | EP | disclosed |