Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.44 |
| ▸ | TNKS | O95271 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | KIT | P10721 | 1/20 | 0.44 |
| ▸ | MPO | P05164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18539214 | 0.83 | NOTUM (0.53) | NOTUMKDM4EALDH1A1MAPK1LMNA | |
| SCHEMBL1032919 | 0.83 | NOTUM (0.53) | NOTUMKDM4EALDH1A1MAPK1LMNA | |
| SCHEMBL16781353 | 0.83 | NOTUM (0.53) | NOTUMKDM4EALDH1A1MAPK1LMNA | |
| SCHEMBL17864341 | 0.82 | LMNA (0.60) | NOTUMKDM4EMAPK1LMNAMPO | |
| SCHEMBL533560 | 0.80 | NOTUM (0.58) | NOTUMKDM4EALDH1A1MAPK1LMNA | |
| SCHEMBL23545613 | 0.80 | KDM4E (0.51) | NOTUMKDM4EALDH1A1MAPK1LMNA | |
| SCHEMBL17469086 | 0.80 | LMNA (0.55) | NOTUMKDM4EALDH1A1MAPK1LMNA | |
| SCHEMBL3304812 | 0.79 | KDM4E (0.57) | NOTUMKDM4EALDH1A1MAPK1LMNA | |
| SCHEMBL3304809 | 0.79 | KDM4E (0.49) | NOTUMKDM4EALDH1A1MAPK1LMNA | |
| SCHEMBL4341894 | 0.79 | NOTUM (0.78) | NOTUMKDM4EALDH1A1MAPK1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016100050-A1 | ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-06-23 | — | — | WO | disclosed |
| WO-2016095089-A1 | ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-06-23 | — | — | WO | disclosed |