Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHAT | P28329 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10672190 | 1.00 | CHAT (0.43) | CHATALDH1A1CYP2A6CA1CA2 | |
| SCHEMBL2789100 | 0.79 | CHAT (0.49) | CHATALDH1A1CYP2A6CA1CA2 | |
| SCHEMBL1663806 | 0.75 | ALDH1A1 (0.48) | CHATALDH1A1CYP2A6CA1CA2 | |
| SCHEMBL2776015 | 0.74 | CHAT (0.60) | CHATALDH1A1CYP2A6CA1CA2 | |
| SCHEMBL29661843 | 0.74 | CHAT (0.60) | CHATALDH1A1CYP2A6CA1CA2 | |
| SCHEMBL814962 | 0.74 | HPRT1 (0.52) | CHATALDH1A1CYP2A6CA1CA2 | |
| SCHEMBL1141298 | 0.74 | HPRT1 (0.52) | CHATALDH1A1CYP2A6CA1CA2 | |
| SCHEMBL10804459 | 0.74 | HPRT1 (0.52) | CHATALDH1A1CYP2A6CA1CA2 | |
| SCHEMBL28371725 | 0.72 | GRM5 (0.50) | CHATALDH1A1CA1CA2MAPT | |
| SCHEMBL6364668 | 0.72 | CHAT (0.58) | CHATALDH1A1CYP2A6CA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0938479-A1 | QUATERNARY NITROGEN HETEROCYCLES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS PESTICIDES | Hoechst Schering AgrEvo GmbH (DE) | 1999-09-01 | — | — | EP | disclosed |
| WO-1998022445-A1 | QUATERNARY NITROGEN HETEROCYCLES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS PESTICIDES | HOECHST SCHERING AGREVO GMBH (DE) | 1998-05-28 | — | — | WO | disclosed |
| US-4735959-A | HYPOGLYCEMIC AGENTS | DR. KARL THOMAE GMBH (DE) | 1988-04-05 | — | — | US | disclosed |