Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.49 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | ADK | P55263 | 1/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 2/20 | 0.43 |
| ▸ | CDK4 | P11802 | 1/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.43 |
| ▸ | CCND1 | P24385 | 1/20 | 0.43 |
| ▸ | CCND3 | P30281 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | JAK1 | P23458 | 1/20 | 0.43 |
| ▸ | TYK2 | P29597 | 1/20 | 0.43 |
| ▸ | JAK3 | P52333 | 1/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.41 |
| ▸ | SMPD3 | Q9NY59 | 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 | |
|---|---|---|---|---|
| SCHEMBL183153 | 0.80 | NISCH (0.64) | ESR1ESR2NISCHKDM4EALDH1A1 | |
| SCHEMBL9730414 | 0.80 | NISCH (0.47) | NISCHKDM4EALDH1A1MTORADK | |
| SCHEMBL8537911 | 0.77 | AMY1A (0.45) | ESR1NISCHKDM4EALDH1A1MTOR | |
| SCHEMBL3684267 | 0.76 | ESR1 (0.70) | ESR1ESR2HSD17B1HSD17B2 | |
| SCHEMBL8541165 | 0.75 | NISCH (0.53) | NISCHKDM4EALDH1A1MTORADK | |
| SCHEMBL31429641 | 0.75 | GUSB (0.45) | NISCHKDM4EALDH1A1MTORADK | |
| SCHEMBL8540911 | 0.75 | GUSB (0.45) | NISCHKDM4EALDH1A1MTORADK | |
| SCHEMBL8535895 | 0.74 | NISCH (0.49) | ESR1ESR2NISCHKDM4EALDH1A1 | |
| SCHEMBL722191 | 0.74 | NISCH (0.78) | NISCHKDM4EALDH1A1MTORADK | |
| SCHEMBL482165 | 0.73 | NISCH (0.64) | NISCHKDM4EALDH1A1MTORADK |
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-0857171-A2 | IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-08-12 | — | — | EP | disclosed |
| WO-1997015555-A2 | IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-05-01 | — | — | WO | disclosed |