Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.44 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.44 |
| ▸ | AGER | Q15109 | 1/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HRH2 | P25021 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9849395 | 0.81 | CYP19A1 (0.52) | POLBCYP19A1TBXAS1ALDH1A1MAPK1 | |
| SCHEMBL9849541 | 0.80 | CYP19A1 (0.51) | POLBCYP19A1TBXAS1ALDH1A1TSHR | |
| SCHEMBL9849555 | 0.79 | ALDH1A1 (0.43) | POLBTBXAS1AGERTLR7ALDH1A1 | |
| SCHEMBL9849506 | 0.78 | KDM4E (0.39) | POLBCYP19A1TBXAS1TLR7CYP11B1 | |
| SCHEMBL9849700 | 0.68 | CYP19A1 (0.51) | POLBCYP19A1TBXAS1ALDH1A1MAPK1 | |
| SCHEMBL28275499 | 0.68 | DCPS (0.42) | TLR7ALDH1A1MAPTADRA1AKCNH2 | |
| SCHEMBL10926472 | 0.67 | POLB (0.60) | POLBCYP19A1TBXAS1AGERIDO1 | |
| SCHEMBL9849295 | 0.65 | TSHR (0.55) | CYP19A1ALDH1A1MAPK1TSHR | |
| SCHEMBL9849561 | 0.64 | KDM4E (0.49) | POLBALDH1A1LMNAMAPTTSHR | |
| SCHEMBL10737579 | 0.64 | ALDH1A1 (0.50) | ALDH1A1LMNATSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0446604-A2 | Pyridine and related aza heterocycle derivatives as cardiovascular agents | AMERICAN CYANAMID COMPANY (US) | 1991-09-18 | — | — | EP | disclosed |