Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.78 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.46 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | METAP2 | P50579 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12973253 | 0.88 | APP (1.00) | APPHDAC6ALDH1A1KDM4EHSD17B1 | |
| SCHEMBL147142 | 0.80 | ALDH1A1 (0.61) | APPADRA1AALDH1A1KDM4EHSD17B10 | |
| SCHEMBL29668171 | 0.79 | APP (0.75) | APPHDAC6ALDH1A1KDM4EHSD17B1 | |
| SCHEMBL28339390 | 0.79 | APP (0.75) | APPHDAC6ALDH1A1KDM4EHSD17B1 | |
| SCHEMBL22834155 | 0.79 | APP (0.75) | APPHDAC6ALDH1A1KDM4EHSD17B1 | |
| SCHEMBL23795211 | 0.79 | APP (0.75) | APPHDAC6ALDH1A1KDM4EHSD17B1 | |
| SCHEMBL31149035 | 0.79 | APP (0.75) | APPHDAC6ALDH1A1KDM4EHSD17B1 | |
| SCHEMBL14515080 | 0.78 | APP (0.71) | APPHDAC6ALDH1A1KDM4EHSD17B1 | |
| SCHEMBL31402835 | 0.77 | CYP1A1 (0.50) | APPALDH1A1KDM4EHSD17B1HSD17B2 | |
| SCHEMBL3922048 | 0.76 | APP (0.46) | APPALDH1A1KDM4ECNR1HSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101500575-A | Thienopyrimidines useful as modulators of ion channels | VERTEX PHARMA (US) | 2009-08-05 | — | — | CN | disclosed |
| EP-2043654-A2 | THIENOPYRIMIDINES USEFUL AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals, Inc. (US) | 2009-04-08 | — | — | EP | disclosed |
| WO-2007146284-A2 | THIENOPYRIMIDINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-12-21 | — | — | WO | disclosed |