Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CCNC | P24863 | 1/20 | 0.34 |
| ▸ | CDK8 | P49336 | 1/20 | 0.34 |
| ▸ | RAF1 | P04049 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3420486 | 0.77 | KDM4E (0.33) | ALDH1A1LMNASMN1; SMN2L3MBTL1 | |
| SCHEMBL17563728 | 0.77 | POLB (0.40) | CYP1A2CYP2C19ESR1ESR2POLB | |
| SCHEMBL6270062 | 0.76 | KMT2A (0.50) | CYP1A2CYP2C19ESR1ESR2POLB | |
| SCHEMBL18757549 | 0.76 | CA1 (0.41) | CYP1A2CYP2C19ESR1ESR2POLB | |
| SCHEMBL14354944 | 0.76 | SMN1; SMN2 (0.54) | CYP1A2CYP2C19HTTALDH1A1CA1 | |
| Ammonia Solution, Strong SCHEMBL27863632 | 0.75 | KDM4E (0.32) | ALDH1A1LMNASMN1; SMN2L3MBTL1 | |
| SCHEMBL10444860 | 0.75 | LMNA (0.39) | CYP1A2CYP2C19POLBHTTALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL15720632 | 0.74 | KMT2A (0.53) | CYP1A2CYP2C19ESR1ESR2HTT | |
| SCHEMBL17576124 | 0.73 | CYP1A2 (0.46) | CYP1A2CYP2C19ESR1ESR2CA1 | |
| SCHEMBL17563724 | 0.73 | CXCR4 (0.39) | CYP1A2SMN1; SMN2 |
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-10428170-B1 | Hydrocarbon blown polyurethane foam formulation giving desirable thermal insulation properties | HUNTSMAN INTERNATIONAL LLC (US) | 2019-10-01 | — | — | US | disclosed |