Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | OGA | O60502 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ATR | Q13535 | 1/20 | 0.37 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 3/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 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 | |
|---|---|---|---|---|
| SCHEMBL19713513 | 0.79 | IDH1 (0.56) | IDH1 | |
| SCHEMBL1085496 | 0.71 | NOX1 (0.40) | GAAMAPTNPSR1HSD17B10SMN1; SMN2 | |
| SCHEMBL2608562 | 0.69 | GAA (0.40) | GAAHTTMAPTTSHRHSD17B10 | |
| SCHEMBL17802849 | 0.68 | IDH1 (0.54) | IDH1 | |
| SCHEMBL14629279 | 0.68 | NOX1 (0.37) | GAANPSR1HSD17B10SMN1; SMN2 | |
| SCHEMBL1085650 | 0.68 | BRS3 (0.46) | — | |
| SCHEMBL6843345 | 0.66 | GAA (0.59) | GAAHTTPOLBMAPTTSHR | |
| SCHEMBL4162589 | 0.66 | CYP1A2 (0.50) | IDH1GAANPSR1HSD17B10SMN1; SMN2 | |
| SCHEMBL2911347 | 0.65 | HTR2C (0.54) | GAAHTTPOLBATRATRIP | |
| SCHEMBL244876 | 0.64 | HRH3 (0.65) | OGAMAPTTSHRHSD17B10ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3226689-A1 | NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES | Merck Sharp & Dohme Corp. (US) | 2017-10-11 | — | — | EP | disclosed |
| EP-3226690-A1 | NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES | Merck Sharp & Dohme Corp. (US) | 2017-10-11 | — | — | EP | disclosed |
| WO-2016089833-A1 | NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES | MERCK SHARP & DOHME CORP. (US) | 2016-06-09 | — | — | WO | disclosed |
| WO-2016089830-A1 | NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES | MERCK SHARP & DOHME CORP. (US) | 2016-06-09 | — | — | WO | disclosed |