Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | ANPEP | P15144 | 4/20 | 0.47 |
| ▸ | LAP3 | P28838 | 3/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.44 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.44 |
| ▸ | ACP3 | P15309 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | GGPS1 | O95749 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL1243123 | 0.95 | SMN1; SMN2 (0.50) | FDPSSMN1; SMN2HIF1AANPEPLAP3 | |
| SCHEMBL4093885 | 0.80 | FDPS (0.62) | FDPSSMN1; SMN2HIF1AANPEPLAP3 | |
| SCHEMBL3361671 | 0.78 | FDPS (0.60) | FDPSSMN1; SMN2HIF1AANPEPLAP3 | |
| SCHEMBL583541 | 0.76 | TAAR1 (0.64) | FDPSSMN1; SMN2HIF1ASLC6A2TAAR1 | |
| Hydrochloric Acid SCHEMBL5087218 | 0.74 | TAAR1 (0.61) | FDPSSMN1; SMN2HIF1ASLC6A2TAAR1 | |
| Water SCHEMBL8366271 | 0.74 | TAAR1 (0.61) | FDPSSMN1; SMN2HIF1ASLC6A2TAAR1 | |
| Bromide SCHEMBL5087806 | 0.74 | TAAR1 (0.61) | FDPSSMN1; SMN2HIF1ASLC6A2TAAR1 | |
| Iodide SCHEMBL5092148 | 0.74 | TAAR1 (0.61) | FDPSSMN1; SMN2HIF1ASLC6A2TAAR1 | |
| Phosphoric Acid SCHEMBL5459504 | 0.73 | FDPS (0.58) | FDPSSMN1; SMN2HIF1AANPEPLAP3 | |
| SCHEMBL4317428 | 0.73 | FDPS (0.58) | FDPSSMN1; SMN2HIF1ASLC6A2TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7879878-B2 | such as {2-[({[7-(cyclohexylamino)-6-fluoro-4-oxo-1-[(3S)-tetrahydrofuran-3-yl]-1,4-dihydroquinolin-3-yl}carbonyl)amino]ethyl}phosphonic acid, used as platelet aggregation inhibitor and purinergic receptor (P2Y12) inhibitors; therapy for circulatory diseases involving thrombosis via platelet aggregation | ASTELLAS PHARMA INC. (JP) | 2011-02-01 | — | — | US | disclosed |