Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CETP | P11597 | 7/20 | 0.43 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.42 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.40 |
| ▸ | CCR2 | P41597 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL19372576 | 1.00 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2CETPP2RX7DGAT1 | |
| SCHEMBL23623428 | 1.00 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2CETPP2RX7DGAT1 | |
| SCHEMBL19372578 | 1.00 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2CETPP2RX7DGAT1 | |
| SCHEMBL20931295 | 0.98 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2CETPP2RX7DGAT1 | |
| SCHEMBL16417956 | 0.94 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2CETPP2RX7DGAT1 | |
| SCHEMBL10290365 | 0.94 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2CETPP2RX7DGAT1 | |
| SCHEMBL5523419 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL21853138 | 0.85 | — | — | |
| SCHEMBL8002686 | 0.78 | CETP (0.44) | ALDH1A1SMN1; SMN2CETPP2RX7CCR2 | |
| SCHEMBL15505954 | 0.78 | CETP (0.44) | ALDH1A1SMN1; SMN2CETPP2RX7CCR2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107278203-A | It is used as pyrazolo [1,5 a] pyrazine of 4,6 substitutions of JANUS kinase inhibitors | 阵列生物制药公司 | 2017-10-20 | — | — | CN | disclosed |
| US-6326495-B2 | HEATING A MIXTURE OF CAPROLACTONE AND P-METHOXYBENZYLAMINE; CYCLIZATION | PFIZER INC. | 2001-12-04 | — | — | US | disclosed |
| EP-0126088-A1 | ARYL SUBSTITUTED 7-OXABICYCLOHEPTANE COMPOUNDS | E.R. SQUIBB & SONS, INC. (US) | 1984-11-28 | — | — | EP | disclosed |
| US-4463015-A | Aryl substituted 7-oxabicycloheptane compounds, useful in inhibiting platelet aggregation | E. R. SQUIBB & SONS, INC. (US) | 1984-07-31 | — | — | US | disclosed |
| WO-1984000754-A1 | ARYL SUBSTITUTED 7-OXABICYCLOHEPTANE COMPOUNDS | SQUIBB & SONS INC (US) | 1984-03-01 | — | — | WO | disclosed |
| US-4418076-A | 7-Oxabicycloheptane hydrazone prostaglandin analogs useful in treating thrombolytic diseases | E. R. SQUIBB & SONS, INC. (US) | 1983-11-29 | — | — | US | disclosed |