Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 17/20 | 1.00 |
| ▸ | MEN1 | O00255 | 3/20 | 0.85 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.85 |
| ▸ | NPC1 | O15118 | 2/20 | 0.85 |
| ▸ | GBA1 | P04062 | 2/20 | 0.85 |
| ▸ | RAB9A | P51151 | 1/20 | 0.85 |
| ▸ | ABCC1 | P33527 | 9/20 | 0.76 |
| ▸ | ABCB1 | P08183 | 8/20 | 0.76 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.66 |
| ▸ | MAPT | P10636 | 1/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.66 |
| ▸ | HTT | P42858 | 1/20 | 0.66 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.66 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL21979438 | 0.91 | ABCG2 (0.82) | ABCG2MEN1KMT2ANPC1GBA1 | |
| SCHEMBL390057 | 0.89 | ABCG2 (0.80) | ABCG2MEN1KMT2ANPC1GBA1 | |
| SCHEMBL21980348 | 0.87 | ABCG2 (0.85) | ABCG2MEN1KMT2ANPC1GBA1 | |
| SCHEMBL14987901 | 0.87 | ABCG2 (0.76) | ABCG2MEN1KMT2ANPC1GBA1 | |
| SCHEMBL5486371 | 0.87 | ABCG2 (0.78) | ABCG2MEN1KMT2ANPC1GBA1 | |
| SCHEMBL14987959 | 0.84 | ABCG2 (0.72) | ABCG2MEN1KMT2ANPC1GBA1 | |
| SCHEMBL392277 | 0.83 | ABCG2 (0.70) | ABCG2MEN1KMT2ANPC1GBA1 | |
| SCHEMBL16372036 | 0.83 | ABCG2 (0.74) | ABCG2MEN1KMT2ANPC1GBA1 | |
| SCHEMBL9013534 | 0.82 | ABCG2 (0.70) | ABCG2MEN1KMT2ANPC1GBA1 | |
| SCHEMBL5483254 | 0.82 | ABCG2 (0.69) | ABCG2MEN1KMT2ANPC1GBA1 |
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 |