Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 1.00 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.97 |
| ▸ | CRHBP | P24387 | 1/20 | 0.97 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.97 |
| ▸ | DRD2 | P14416 | 4/20 | 0.58 |
| ▸ | DRD4 | P21917 | 4/20 | 0.58 |
| ▸ | DRD3 | P35462 | 4/20 | 0.58 |
| ▸ | FAAH | O00519 | 1/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL10210828 | 0.98 | CHRNA7 (0.97) | CHRNA7SMN1; SMN2CRHBPCRHR2DRD2 | |
| SCHEMBL13940586 | 0.86 | CHRNA7 (0.76) | CHRNA7SMN1; SMN2CRHBPCRHR2DRD2 | |
| SCHEMBL807400 | 0.80 | CHRNA7 (0.66) | CHRNA7SMN1; SMN2CRHBPCRHR2DRD2 | |
| SCHEMBL15084391 | 0.80 | CHRNA7 (0.66) | CHRNA7SMN1; SMN2CRHBPCRHR2DRD2 | |
| SCHEMBL15084307 | 0.80 | CHRNA7 (0.66) | CHRNA7SMN1; SMN2CRHBPCRHR2DRD2 | |
| SCHEMBL807587 | 0.77 | CHRNA7 (0.61) | CHRNA7SMN1; SMN2CRHBPCRHR2DRD2 | |
| SCHEMBL15081976 | 0.77 | CHRNA7 (0.61) | CHRNA7SMN1; SMN2CRHBPCRHR2DRD2 | |
| SCHEMBL15084314 | 0.77 | CHRNA7 (0.61) | CHRNA7SMN1; SMN2CRHBPCRHR2DRD2 | |
| SCHEMBL15084319 | 0.76 | CHRNA7 (0.61) | CHRNA7SMN1; SMN2CRHBPCRHR2DRD2 | |
| SCHEMBL807395 | 0.76 | CHRNA7 (0.60) | CHRNA7SMN1; SMN2CRHBPCRHR2DRD2 |
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-3536319-A1 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2019-09-11 | — | — | EP | disclosed |
| WO-2012058127-A2 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | SCHERING CORPORATION (US) | 2012-05-03 | — | — | WO | disclosed |
| WO-2012036997-A1 | FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS | SCHERING CORPORATION (US) | 2012-03-22 | — | — | WO | disclosed |
| WO-2011163330-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-12-29 | — | — | WO | disclosed |