Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 19/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | GBA1 | P04062 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | ABCC1 | P33527 | 11/20 | 0.49 |
| ▸ | ABCB1 | P08183 | 10/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL16392136 | 0.79 | ABCG2 (0.65) | ABCG2MEN1NPC1GBA1RAB9A | |
| SCHEMBL21977560 | 0.73 | ABCG2 (1.00) | ABCG2MEN1NPC1GBA1RAB9A | |
| SCHEMBL17800986 | 0.72 | ABCG2 (0.53) | ABCG2MEN1NPC1GBA1RAB9A | |
| SCHEMBL21979438 | 0.69 | ABCG2 (0.82) | ABCG2MEN1NPC1GBA1RAB9A | |
| SCHEMBL11612951 | 0.69 | KMT2A (0.60) | ABCG2MEN1NPC1GBA1RAB9A | |
| SCHEMBL15102606 | 0.69 | KCNH3 (0.60) | ABCG2MEN1NPC1GBA1RAB9A | |
| SCHEMBL16391713 | 0.68 | ABCG2 (0.60) | ABCG2MEN1NPC1GBA1RAB9A | |
| SCHEMBL16391856 | 0.67 | ABCG2 (0.76) | ABCG2MEN1NPC1GBA1RAB9A | |
| SCHEMBL11619377 | 0.67 | ABCG2 (0.48) | ABCG2MEN1NPC1GBA1RAB9A | |
| SCHEMBL5486371 | 0.66 | ABCG2 (0.78) | ABCG2MEN1NPC1GBA1RAB9A |
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-3019480-B1 | 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER | AGIOS PHARMACEUTICALS INC (US) | 2020-05-06 | — | — | EP | disclosed |