Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.40 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.39 |
| ▸ | FASN | P49327 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 2/20 | 0.38 |
| ▸ | CECR2 | Q9BXF3 | 2/20 | 0.38 |
| ▸ | TAF1 | P21675 | 1/20 | 0.38 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18924425 | 0.84 | CECR2 (0.51) | ALDH1A1SMN1; SMN2BRD4CECR2TAF1 | |
| SCHEMBL18924423 | 0.84 | MAPK14 (0.45) | MAPK14ALDH1A1GAASMN1; SMN2BRD4 | |
| SCHEMBL18924540 | 0.84 | MAPK14 (0.47) | MAPK14ALDH1A1GAASMN1; SMN2BRD4 | |
| SCHEMBL16322929 | 0.82 | FASN (0.65) | FASN | |
| SCHEMBL18924390 | 0.76 | SLC6A4 (0.47) | MAPK14EGLN1USP30FASNALDH1A1 | |
| SCHEMBL19391338 | 0.73 | FASN (0.64) | MAPK14USP30FASNALDH1A1GAA | |
| SCHEMBL18924529 | 0.73 | POLB (0.46) | MAPK14ALDH1A1GAASMN1; SMN2POLB | |
| SCHEMBL18924399 | 0.72 | MAPK14 (0.51) | MAPK14FASNALDH1A1GAASMN1; SMN2 | |
| SCHEMBL19391089 | 0.72 | MAPK14 (0.46) | MAPK14EGLN1USP30FASNPOLB | |
| SCHEMBL18924455 | 0.72 | MAPK14 (0.43) | MAPK14ALDH1A1SMN1; SMN2BRD4CECR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9670142-B2 | 1,3-diaminocyclopentane carboxamide derivatives | MERCK PATENT GMBH (DE) | 2017-06-06 | — | — | US | disclosed |