Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.46 |
| ▸ | CDC7 | O00311 | 9/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | PRKACA | P17612 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 3/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5397043 | 0.86 | CDC7 (0.43) | JMJD6CDC7ADORA2AAURKAHSP90AA1 | |
| SCHEMBL7089643 | 0.81 | MAPT (0.52) | ADORA2AMAPT | |
| SCHEMBL6779517 | 0.76 | TDP1 (0.49) | JMJD6ADORA2ARAB9ANPC1ALDH1A1 | |
| SCHEMBL7092132 | 0.76 | ADORA1 (0.56) | JMJD6ADORA2AMAPT | |
| SCHEMBL24414105 | 0.72 | TDP1 (0.50) | ADORA2ARAB9AALDH1A1L3MBTL1KDM4E | |
| SCHEMBL29020234 | 0.71 | TDP1 (0.49) | JMJD6RAB9ANPC1ALDH1A1L3MBTL1 | |
| SCHEMBL26241207 | 0.70 | TDP1 (0.51) | JMJD6RAB9ANPC1ALDH1A1SMN1; SMN2 | |
| SCHEMBL31500310 | 0.70 | CFD (0.44) | SMN1; SMN2L3MBTL1 | |
| SCHEMBL30805989 | 0.70 | CFD (0.44) | SMN1; SMN2L3MBTL1 | |
| Hydrochloric Acid SCHEMBL31500289 | 0.69 | CFD (0.43) | SMN1; SMN2L3MBTL1 |
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-1363906-A2 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-11-26 | — | — | EP | disclosed |
| WO-2002064586-A2 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-08-22 | — | — | WO | disclosed |