Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 15/20 | 0.51 |
| ▸ | ABCB1 | P08183 | 9/20 | 0.51 |
| ▸ | ABCC1 | P33527 | 8/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | GBA1 | P04062 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ACP1 | P24666 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21976896 | 0.85 | ABCG2 (0.57) | ABCG2ABCB1ABCC1MEN1KMT2A | |
| SCHEMBL21977188 | 0.85 | ABCG2 (0.57) | ABCG2ABCB1ABCC1MEN1KMT2A | |
| SCHEMBL21976925 | 0.84 | IDH1 (0.39) | ABCG2ABCB1ABCC1 | |
| SCHEMBL16391662 | 0.82 | ABCG2 (0.54) | ABCG2ABCB1ABCC1MEN1KMT2A | |
| SCHEMBL21976918 | 0.81 | ABCG2 (0.50) | ABCG2ABCB1ABCC1MEN1KMT2A | |
| SCHEMBL21977209 | 0.80 | ABCG2 (0.52) | ABCG2ABCB1ABCC1MEN1KMT2A | |
| SCHEMBL16391856 | 0.78 | ABCG2 (0.76) | ABCG2ABCB1ABCC1MEN1KMT2A | |
| SCHEMBL21977224 | 0.77 | ABCG2 (0.53) | ABCG2ABCB1ABCC1MEN1KMT2A | |
| SCHEMBL21976970 | 0.76 | ABCG2 (0.65) | ABCG2ABCB1ABCC1MEN1KMT2A | |
| SCHEMBL16392096 | 0.76 | ABCB1 (0.51) | ABCG2ABCB1ABCC1MEN1KMT2A |
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 |