Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 2/20 | 0.37 |
| ▸ | NOS1 | P29475 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 4/20 | 0.35 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.34 |
| ▸ | CHRNG | P07510 | 1/20 | 0.34 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 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 | |
|---|---|---|---|---|
| SCHEMBL6909657 | 0.76 | CYP2A6 (0.43) | POLBNOS3NOS1CYP2A6ALDH1A1 | |
| SCHEMBL30802 | 0.73 | CYP2A6 (0.40) | POLBNOS3NOS1CYP2A6ALDH1A1 | |
| SCHEMBL3092427 | 0.71 | POLB (0.42) | POLBNOS3NOS1CYP2A6ALDH1A1 | |
| SCHEMBL2326687 | 0.71 | KCNH2 (0.42) | POLBCYP2A6ALDH1A1CA12CA2 | |
| SCHEMBL516251 | 0.71 | OPRM1 (0.45) | CYP2A6ALDH1A1CA12CA2CA3 | |
| SCHEMBL27576448 | 0.68 | CA2 (0.43) | NOS3NOS1CYP2A6ALDH1A1CA12 | |
| SCHEMBL703760 | 0.67 | CYP2A6 (0.46) | POLBCYP2A6ALDH1A1CA12CA2 | |
| SCHEMBL4821949 | 0.67 | OPRL1 (0.57) | CYP2A6ALDH1A1CA12CA2CA3 | |
| SCHEMBL516566 | 0.67 | CACNA1H (0.46) | CYP2A6ALDH1A1CA12CA2CA3 | |
| SCHEMBL5891951 | 0.67 | POLB (0.39) | POLBNOS3NOS1CYP2A6ALDH1A1 |
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-9617473-B2 | Switch element comprising a liquid-crystalline medium | MERCK PATENT GMBH (DE) | 2017-04-11 | — | — | US | disclosed |