Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB2 | P05107 | 3/20 | 0.35 |
| ▸ | ICAM1 | P05362 | 3/20 | 0.35 |
| ▸ | ITGAL | P20701 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8896559 | 0.85 | ITGB2 (0.38) | ITGB2ICAM1ITGALCA12CA1 | |
| SCHEMBL11460809 | 0.81 | CA12 (0.44) | CYP3A4LMNACA12CA1CA2 | |
| SCHEMBL6636617 | 0.81 | CA12 (0.44) | CYP3A4LMNACA12CA1CA2 | |
| SCHEMBL1416008 | 0.80 | MAPT (0.35) | ITGB2ICAM1ITGALCA12CA1 | |
| SCHEMBL11467973 | 0.79 | CYP3A4 (0.33) | CYP3A4LMNAMAPT | |
| SCHEMBL5174650 | 0.79 | CHRNB2 (0.38) | CYP3A4LMNAMAPTESR1 | |
| SCHEMBL5174647 | 0.79 | CHRNB2 (0.38) | CYP3A4LMNAMAPTESR1 | |
| SCHEMBL11460819 | 0.77 | CA12 (0.48) | CYP3A4LMNACA12CA1CA2 | |
| SCHEMBL11433922 | 0.77 | CA12 (0.48) | CYP3A4LMNACA12CA1CA2 | |
| SCHEMBL25132091 | 0.76 | CA1 (0.34) | CYP3A4LMNACA12CA1CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4209445-A | FROM PIPERONAL AND A CROTONIC AMIDE IN PRESENCE OF QUATERNARY AMMONIUM OR PHOSPHONIUM HYDROXIDE OR CROWN ETHER METAL COMPLEX | HAARMAN & REIMER GMBH (DE) | 1980-06-24 | — | — | US | disclosed |
| US-4209446-A | FROM PIPERONAL AND A CROTONIC AMIDE IN PRESENCE OF ALKALI METAL HYDROXIDE AND DIPOLAR APROTIC DILUENT | HAARMAN & REIMER GMBH (DE) | 1980-06-24 | — | — | US | disclosed |