Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.59 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.59 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.53 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.53 |
| ▸ | CHRNA2 | Q15822 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.53 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.53 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL9675472 | 1.00 | CHRNB2 (0.59) | CHRNB2CHRNA7CHRNA4ALDH1A1KDM4E | |
| SCHEMBL9675463 | 1.00 | CHRNB2 (0.59) | CHRNB2CHRNA7CHRNA4ALDH1A1KDM4E | |
| SCHEMBL9673665 | 0.95 | ALDH1A1 (0.59) | CHRNB2CHRNA7CHRNA4ALDH1A1KDM4E | |
| SCHEMBL30866539 | 0.95 | ALDH1A1 (0.59) | CHRNB2CHRNA7CHRNA4ALDH1A1KDM4E | |
| SCHEMBL9673668 | 0.95 | ALDH1A1 (0.59) | CHRNB2CHRNA7CHRNA4ALDH1A1KDM4E | |
| SCHEMBL9673658 | 0.95 | ALDH1A1 (0.59) | CHRNB2CHRNA7CHRNA4ALDH1A1KDM4E | |
| SCHEMBL31344136 | 0.95 | ALDH1A1 (0.59) | CHRNB2CHRNA7CHRNA4ALDH1A1KDM4E | |
| SCHEMBL31019612 | 0.91 | ALDH1A1 (0.58) | CHRNB2CHRNA7CHRNA4ALDH1A1KDM4E | |
| SCHEMBL9674682 | 0.91 | ALDH1A1 (0.58) | CHRNB2CHRNA7CHRNA4ALDH1A1KDM4E | |
| SCHEMBL30866551 | 0.91 | ALDH1A1 (0.58) | CHRNB2CHRNA7CHRNA4ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| 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 |