Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 4/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | STAT3 | P40763 | 1/20 | 0.49 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | ADK | P55263 | 1/20 | 0.42 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.42 |
| ▸ | PDE5A | O76074 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 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 | |
|---|---|---|---|---|
| SCHEMBL10922444 | 0.77 | MAPT (0.50) | ADRA1AALOX5CYP3A4NSD2ABL1 | |
| SCHEMBL8541063 | 0.74 | LTA4H (0.53) | ADRA1AMTORADKNISCHCYP11B1 | |
| SCHEMBL4329170 | 0.74 | ADRA2A (0.50) | HTTSMN1; SMN2STAT3CASP1ADRA1A | |
| SCHEMBL772053 | 0.74 | NISCH (0.61) | SMN1; SMN2CYP3A4MTORADKNISCH | |
| SCHEMBL5756185 | 0.72 | TSHR (0.56) | SMN1; SMN2CYP3A4MTORADKNISCH | |
| SCHEMBL8538130 | 0.72 | MAOB (0.43) | ALOX5CYP3A4NSD2ABL1PPARG | |
| SCHEMBL10822527 | 0.71 | SMN1; SMN2 (0.51) | IKBKBHTTSMN1; SMN2STAT3ALOX5 | |
| SCHEMBL28687044 | 0.71 | ALOX5 (0.60) | HTTSMN1; SMN2STAT3ADRA1AALOX5 | |
| SCHEMBL24088205 | 0.71 | HTR1A (0.48) | ADRA1AMTORADKNISCHPDE5A | |
| SCHEMBL18587436 | 0.70 | MRGPRX4 (0.50) | CYP3A4MTORADKNISCHCYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002096397-A1 | BICYCLIC AROMATIC CHEMOKINE RECEPTOR LIGANDS | CHEMOKINE THERAPEUTICS CORPORATION (CA) | 2002-12-05 | — | — | WO | disclosed |
| US-5866545-A | ANTIINFLAMMATORY AGENTS; NERVOUS SYSTEM DISORDERS; GASTROINTESTINAL DISORDERS; UROGENITAL DISORDERS | MERCK & CO., INC. (US) | 1999-02-02 | — | — | US | disclosed |
| WO-1995005192-A1 | SUBSTITUTED KETONE DERIVATIVES AS INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME | MERCK & CO., INC. (US) | 1995-02-23 | — | — | WO | disclosed |