Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23326053 | 0.75 | CYP1A2 (0.50) | ALOX15CYP1A2OPRK1 | |
| SCHEMBL20052954 | 0.75 | CYP1A2 (0.50) | ALOX15CYP1A2OPRK1 | |
| SCHEMBL16743052 | 0.73 | CYP1A2 (0.48) | ALOX15CYP1A2OPRK1 | |
| SCHEMBL21950083 | 0.70 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1LMNAMEN1MAPT | |
| SCHEMBL13733772 | 0.67 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1LMNAMEN1MAPT | |
| SCHEMBL10116533 | 0.67 | ALDH1A1 (0.58) | ALDH1A1L3MBTL1LMNAMEN1MAPT | |
| SCHEMBL3884112 | 0.65 | CYP19A1 (0.40) | ALDH1A1L3MBTL1LMNAMEN1MAPT | |
| SCHEMBL8935135 | 0.65 | ALDH1A1 (0.40) | ALDH1A1L3MBTL1LMNAMEN1MAPT | |
| SCHEMBL10639780 | 0.65 | ALDH1A1 (0.61) | ALDH1A1L3MBTL1LMNAMEN1MAPT | |
| SCHEMBL2010666 | 0.65 | KCNH2 (0.46) | ALDH1A1L3MBTL1LMNAMEN1MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2316829-A1 | Heterocyclic derivatives as modulators of ion channels | Vertex Pharmaceuticals Incorporated (US) | 2011-05-04 | — | — | EP | disclosed |