Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 4/20 | 0.47 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.47 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.46 |
| ▸ | CHRNB1 | P11230 | 2/20 | 0.44 |
| ▸ | CHRNB3 | Q05901 | 2/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CHRNA2 | Q15822 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.44 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | HTR3B | O95264 | 1/20 | 0.44 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11276237 | 1.00 | CHRNB2 (0.47) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL156222 | 0.85 | CHRNB2 (0.47) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL9385174 | 0.82 | CHRNB2 (0.49) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL11273849 | 0.82 | CHRNB2 (0.49) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL16787379 | 0.82 | CHRNB2 (0.47) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL2682571 | 0.81 | CHRNB2 (0.48) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL524484 | 0.81 | CHRNB2 (0.48) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL1533666 | 0.81 | CHRNB2 (0.48) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| Water SCHEMBL1333404 | 0.77 | CHRNB2 (0.42) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL10472774 | 0.76 | CHRNB2 (0.51) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0000106-B1 | 2-ALKYL NICOTINOIDS AND PROCESSES FOR THEIR PRODUCTION AND USE | PHILIP MORRIS INCORPORATED (US) | 1982-02-17 | — | — | EP | disclosed |
| US-4220781-A | QUARTINIZATION, REARRANGEMENT AND REDUCTION | PHILIP MORRIS, INC. (US) | 1980-09-02 | — | — | US | disclosed |
| US-4155909-A | INSECTICIDES | PHILIP MORRIS INCORPORATED (US) | 1979-05-22 | — | — | US | disclosed |
| EP-0000106-A1 | 2-Alkyl nicotinoids and processes for their production and use | PHILIP MORRIS INCORPORATED (US) | 1978-12-20 | — | — | EP | disclosed |