Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 13/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8218198 | 0.79 | NISCH (0.40) | NISCHADRA2AADRA2BADRA2CKDM4E | |
| SCHEMBL7543472 | 0.77 | KDM4E (0.36) | NISCHADRA2AADRA2BADRA2CKDM4E | |
| Hydrochloric Acid SCHEMBL8218663 | 0.77 | KDM4E (0.39) | NISCHADRA2AADRA2BADRA2CKDM4E | |
| Iodide SCHEMBL7537909 | 0.76 | NOS3 (0.36) | NISCHADRA2AADRA2BADRA2C | |
| Iodide SCHEMBL7537243 | 0.73 | ESR1 (0.36) | NISCHADRA2AADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL8207897 | 0.67 | ADRA2A (0.47) | NISCHADRA2AADRA2BADRA2C | |
| SCHEMBL8196811 | 0.67 | KDM4E (0.35) | KDM4E | |
| SCHEMBL8196356 | 0.66 | HSD17B10 (0.42) | KDM4E | |
| SCHEMBL7534871 | 0.65 | NISCH (0.64) | NISCHADRA2AADRA2BADRA2CCYP1A2 | |
| SCHEMBL7538424 | 0.65 | REN (0.33) | NISCHADRA2AKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1204644-A1 | SYNTHESIS OF SUBSTITUTED AMIDINES | ELI LILLY AND COMPANY (US) | 2002-05-15 | — | — | EP | disclosed |
| WO-2000078725-A1 | SYNTHESIS OF SUBSTITUTED AMIDINES | ELI LILLY AND COMPANY (US) | 2000-12-28 | — | — | WO | disclosed |
| WO-2000078724-A2 | IMIDAZOLINDERIVATIVES THEIR PREPARATION AND THEIR PHARMACEUTICAL USE | ELI LILLY AND COMPANY (US) | 2000-12-28 | — | — | WO | disclosed |