Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 3/20 | 0.45 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.45 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL289504 | 0.86 | HCRTR1 (0.59) | HCRTR1HCRTR2P2RX7HTTMAPT | |
| SCHEMBL298888 | 0.86 | HCRTR1 (0.59) | HCRTR1HCRTR2P2RX7HTTMAPT | |
| SCHEMBL7217950 | 0.77 | HTT (0.48) | P2RX7HTTMAPTKMT2AGAA | |
| SCHEMBL1612378 | 0.76 | HCRTR1 (0.58) | HCRTR1HCRTR2P2RX7KMT2AMEN1 | |
| SCHEMBL9425323 | 0.76 | ACE (0.46) | P2RX7HTTMAPTKMT2AGAA | |
| SCHEMBL1612373 | 0.76 | HCRTR1 (0.58) | HCRTR1HCRTR2P2RX7KMT2AMEN1 | |
| SCHEMBL288651 | 0.76 | P2RX7 (0.56) | HCRTR1HCRTR2P2RX7KMT2AGAA | |
| SCHEMBL289574 | 0.76 | P2RX7 (0.56) | HCRTR1HCRTR2P2RX7KMT2AGAA | |
| SCHEMBL288652 | 0.76 | P2RX7 (0.56) | HCRTR1HCRTR2P2RX7KMT2AGAA | |
| SCHEMBL16601374 | 0.76 | P2RX7 (0.59) | P2RX7HTTMAPTKMT2AGAA |
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-2427429-A1 | CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS | Abbott GmbH & Co. KG (DE) | 2012-03-14 | — | — | EP | disclosed |
| WO-2010128102-A1 | CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS | ABBOTT GMBH & CO. KG (DE) | 2010-11-11 | — | — | WO | disclosed |