Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 3/20 | 0.64 |
| ▸ | MAOA | P21397 | 3/20 | 0.48 |
| ▸ | MAOB | P27338 | 3/20 | 0.48 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.48 |
| ▸ | PPARG | P37231 | 1/20 | 0.48 |
| ▸ | PPARD | Q03181 | 1/20 | 0.48 |
| ▸ | PPARA | Q07869 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.46 |
| ▸ | CHRNA10 | Q9GZZ6 | 2/20 | 0.46 |
| ▸ | CHRNA9 | Q9UGM1 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5883712 | 0.93 | AHR (0.53) | AHRPPARGALDH1A1LMNAMAPT | |
| SCHEMBL24993379 | 0.91 | AHR (0.53) | AHRMAOAMAOBFFAR1PPARG | |
| SCHEMBL16247012 | 0.89 | SMN1; SMN2 (0.51) | AHRPPARGALDH1A1LMNAMAPT | |
| SCHEMBL22910274 | 0.87 | PLA2G2A (0.54) | AHRPPARGALDH1A1LMNAMAPT | |
| SCHEMBL89112 | 0.86 | AHR (0.47) | AHRMAOAMAOBFFAR1PPARG | |
| SCHEMBL10497527 | 0.86 | PLA2G2A (0.57) | AHRALDH1A1LMNAMAPTHPGD | |
| SCHEMBL6851550 | 0.86 | PLA2G2A (0.57) | AHRALDH1A1LMNAMAPTHPGD | |
| SCHEMBL6847389 | 0.86 | PLA2G2A (0.57) | AHRALDH1A1LMNAMAPTHPGD | |
| SCHEMBL10497859 | 0.86 | PLA2G2A (0.57) | AHRALDH1A1LMNAMAPTHPGD | |
| SCHEMBL10497885 | 0.86 | PLA2G2A (0.57) | AHRALDH1A1LMNAMAPTHPGD |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1115330-C | N- (4-amidinophenyl) glycinamide derivatives | HOFFMANN LA ROCHE (CH) | 2003-07-23 | — | — | CN | disclosed |
| EP-0921116-B1 | N-(4-carbamimido-phenyl)-glycine amide derivatives | HOFFMANN LA ROCHE (CH) | 2003-06-18 | — | — | EP | disclosed |
| US-6140353-A | USED AS MEDICAMENTS FOR THE TREATMENT AND/OR PREVENTION OF THROMBOSES, APOPLEXY, CARDIAC INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS OR AS ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 2000-10-31 | — | — | US | disclosed |
| CN-1224714-A | N- (4-amidinophenyl) glycinamide derivatives | HOFFMANN LA ROCHE (CH) | 1999-08-04 | — | — | CN | disclosed |
| EP-0921116-A1 | N-(4-carbamimido-phenyl)-glycine amide derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1999-06-09 | — | — | EP | disclosed |