Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 1/20 | 0.60 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.46 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.46 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.43 |
| ▸ | ACE | P12821 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMO | Q99835 | 2/20 | 0.42 |
| ▸ | GRM6 | O15303 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL289304 | 1.00 | CAPN1 (0.60) | CAPN1HCRTR1HCRTR2EHMT2TSHR | |
| SCHEMBL28021324 | 0.88 | CAPN1 (0.64) | CAPN1HCRTR1HCRTR2EHMT2TSHR | |
| SCHEMBL10696574 | 0.81 | TSHR (0.51) | CAPN1HCRTR1HCRTR2EHMT2TSHR | |
| SCHEMBL17426060 | 0.81 | EHMT2 (0.51) | CAPN1HCRTR1HCRTR2EHMT2TSHR | |
| SCHEMBL16400115 | 0.78 | CAPN1 (0.43) | CAPN1EHMT2TSHRCYP3A4CYP2C19 | |
| SCHEMBL289468 | 0.76 | CAPN1 (1.00) | CAPN1 | |
| SCHEMBL289323 | 0.76 | CAPN1 (1.00) | CAPN1 | |
| SCHEMBL289324 | 0.76 | CAPN1 (1.00) | CAPN1 | |
| SCHEMBL3601108 | 0.76 | PTGDR2 (0.49) | CAPN1EHMT2TSHRCYP3A4CYP2C19 | |
| SCHEMBL2535132 | 0.74 | EHMT2 (0.47) | CAPN1HCRTR1HCRTR2EHMT2TSHR |
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 |