Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 17/20 | 0.82 |
| ▸ | MEN1 | O00255 | 1/20 | 0.76 |
| ▸ | NPC1 | O15118 | 1/20 | 0.76 |
| ▸ | GBA1 | P04062 | 1/20 | 0.76 |
| ▸ | RAB9A | P51151 | 1/20 | 0.76 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.76 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.66 |
| ▸ | ABCC1 | P33527 | 7/20 | 0.65 |
| ▸ | ABCB1 | P08183 | 7/20 | 0.65 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.62 |
| ▸ | ABL1 | P00519 | 1/20 | 0.62 |
| ▸ | LCK | P06239 | 1/20 | 0.62 |
| ▸ | FYN | P06241 | 1/20 | 0.62 |
| ▸ | IGF1R | P08069 | 1/20 | 0.62 |
| ▸ | LTK | P29376 | 1/20 | 0.62 |
| ▸ | KDR | P35968 | 1/20 | 0.62 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.62 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.62 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.62 |
| ▸ | CLK2 | P49760 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL21977560 | 0.91 | ABCG2 (1.00) | ABCG2MEN1NPC1GBA1RAB9A | |
| SCHEMBL21249490 | 0.85 | ABCG2 (0.67) | ABCG2MEN1NPC1GBA1RAB9A | |
| SCHEMBL21977563 | 0.82 | ABCG2 (0.55) | ABCG2MEN1NPC1GBA1RAB9A | |
| SCHEMBL16391932 | 0.81 | ABCG2 (0.55) | ABCG2MEN1NPC1GBA1RAB9A | |
| SCHEMBL16391929 | 0.81 | ABCG2 (0.59) | ABCG2MEN1NPC1GBA1RAB9A | |
| SCHEMBL16391901 | 0.81 | ABCG2 (0.69) | ABCG2MEN1NPC1GBA1RAB9A | |
| SCHEMBL5486371 | 0.81 | ABCG2 (0.78) | ABCG2MEN1NPC1GBA1RAB9A | |
| SCHEMBL14987901 | 0.81 | ABCG2 (0.76) | ABCG2MEN1NPC1GBA1RAB9A | |
| SCHEMBL390057 | 0.81 | ABCG2 (0.80) | ABCG2MEN1NPC1GBA1RAB9A | |
| SCHEMBL16392086 | 0.79 | ABCG2 (0.56) | 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 |