Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.62 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.62 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.62 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.62 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.62 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.62 |
| ▸ | CHRNA2 | Q15822 | 2/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.62 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.62 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.62 |
| ▸ | HTR3B | O95264 | 1/20 | 0.62 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.62 |
| ▸ | CHRNG | P07510 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.62 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.62 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.62 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL9673151 | 1.00 | ALDH1A1 (0.62) | ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL30866540 | 1.00 | ALDH1A1 (0.62) | ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL31019626 | 1.00 | ALDH1A1 (0.62) | ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL9673161 | 1.00 | ALDH1A1 (0.62) | ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL9673217 | 0.92 | ALDH1A1 (0.59) | ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL9673227 | 0.92 | ALDH1A1 (0.59) | ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL30866544 | 0.92 | ALDH1A1 (0.59) | ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL9673234 | 0.92 | ALDH1A1 (0.59) | ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL31019618 | 0.92 | ALDH1A1 (0.59) | ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL9675515 | 0.91 | ALDH1A1 (0.58) | ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5015741-A | Insecticides, aphidicides, psychological disorders, sedatives or tranquilizers | PHILIP MORRIS INCORPORATED (US) | 1991-05-14 | — | — | US | claimed |
| US-5138062-A | Tranquilizers | PHILIP MORRIS INCORPORATED | 1992-08-11 | — | — | US | disclosed |
| US-5015741-A | Insecticides, aphidicides, psychological disorders, sedatives or tranquilizers | PHILIP MORRIS INCORPORATED (US) | 1991-05-14 | — | — | US | disclosed |
| EP-0421762-A1 | Novel nicotine analogs and method | Philip Morris Products Inc. (US) | 1991-04-10 | — | — | EP | disclosed |