Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CFTR | P13569 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 3/20 | 0.38 |
| ▸ | JAK1 | P23458 | 2/20 | 0.38 |
| ▸ | TYK2 | P29597 | 2/20 | 0.38 |
| ▸ | PDE2A | O00408 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.37 |
| ▸ | NOS3 | P29474 | 2/20 | 0.37 |
| ▸ | NOS1 | P29475 | 2/20 | 0.37 |
| ▸ | NOS2 | P35228 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5261896 | 0.80 | KEAP1 (0.40) | CES2JAK2MAPK8 | |
| SCHEMBL24720949 | 0.79 | JAK2 (0.50) | CES2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL5264746 | 0.78 | ALDH1A1 (0.39) | ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A | |
| SCHEMBL5264419 | 0.78 | KDM4E (0.41) | ALDH1A1KDM4EHPGDHSD17B10CASP1 | |
| SCHEMBL688068 | 0.76 | MAP2K2 (0.37) | ALDH1A1HPGDSMN1; SMN2DPP7CYP1A2 | |
| SCHEMBL5262040 | 0.74 | KDM4E (0.48) | ALDH1A1KDM4EHPGDCASP1SMN1; SMN2 | |
| SCHEMBL5323409 | 0.74 | CES2 (0.50) | CES2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL5265322 | 0.73 | LIPC (0.50) | CES2ALDH1A1KDM4EHPGDHSD17B10 | |
| Methylamine SCHEMBL3227067 | 0.72 | CES2 (0.68) | CES2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL2856986 | 0.72 | CES2 (0.72) | CES2ALDH1A1KDM4EHPGDHSD17B10 |
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-1740551-A1 | HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR | Takeda Pharmaceutical Company Limited (JP) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005105760-A1 | HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-11-10 | — | — | WO | disclosed |