Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16213640 | 1.00 | MEN1 (0.33) | MEN1KMT2AMAPK1MAPTGLA | |
| SCHEMBL17555408 | 0.91 | MAPK1 (0.34) | MAPK1L3MBTL1ADORA2ATDO2 | |
| SCHEMBL17555409 | 0.91 | MAPK1 (0.34) | MAPK1L3MBTL1ADORA2ATDO2 | |
| SCHEMBL16619981 | 0.88 | MAPK1 (0.33) | MAPK1ADORA2AALDH1A1TDO2 | |
| SCHEMBL17555399 | 0.86 | MAPT (0.42) | MEN1KMT2AMAPTGLAPOLB | |
| SCHEMBL17555398 | 0.86 | MAPT (0.42) | MEN1KMT2AMAPTGLAPOLB | |
| SCHEMBL17555400 | 0.86 | MAPT (0.42) | MEN1KMT2AMAPTGLAPOLB | |
| SCHEMBL22284230 | 0.84 | ADORA2A (0.36) | MAPK1ADORA2ATDO2 | |
| SCHEMBL16213607 | 0.79 | MAPK1 (0.36) | MAPK1ADORA2ATDO2 | |
| SCHEMBL16620394 | 0.78 | MAPK1 (0.35) | MAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2991654-A2 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-03-09 | — | — | EP | disclosed |
| WO-2014179154-A2 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-11-06 | — | — | WO | disclosed |