Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.37 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.37 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL15716955 | 1.00 | ALDH1A1 (0.41) | ALDH1A1MAPK1SMN1; SMN2BCHEKMT2A | |
| SCHEMBL3131140 | 0.87 | CHRNB2 (0.51) | ALDH1A1SMN1; SMN2BCHEKMT2ALMNA | |
| SCHEMBL5909129 | 0.83 | BCHE (0.47) | ALDH1A1MAPK1SMN1; SMN2BCHEKMT2A | |
| SCHEMBL3135415 | 0.83 | CTH (0.40) | ALDH1A1MAPK1SMN1; SMN2KMT2ALMNA | |
| SCHEMBL6736256 | 0.83 | CHRNB2 (0.47) | ALDH1A1SMN1; SMN2BCHEKMT2AGNAI3 | |
| SCHEMBL1678458 | 0.83 | — | — | |
| SCHEMBL16430876 | 0.82 | TLR2 (0.40) | ALDH1A1MAPK1SMN1; SMN2BCHEKMT2A | |
| SCHEMBL16431089 | 0.81 | BCHE (0.37) | ALDH1A1MAPK1SMN1; SMN2BCHEKMT2A | |
| Hydrochloric Acid SCHEMBL28988641 | 0.81 | — | — | |
| SCHEMBL17348933 | 0.78 | BCHE (0.38) | SMN1; SMN2BCHEKMT2AGNAI3GNAO1 |
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-2920146-A1 | 3-AMINOCYCLOPENTANE CARBOXAMIDE DERIVATIVES | Merck Patent GmbH (DE) | 2015-09-23 | — | — | EP | claimed |
| WO-2014075754-A1 | 3-AMINOCYCLOPENTANE CARBOXAMIDE DERIVATIVES | MERCK PATENT GMBH (DE) | 2014-05-22 | — | — | WO | claimed |