Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 4/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | CHRNA2 | Q15822 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.33 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | HTR3B | O95264 | 1/20 | 0.33 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.33 |
| ▸ | CHRNG | P07510 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19005643 | 0.74 | CHRNB4 (0.39) | CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4 | |
| SCHEMBL19005649 | 0.71 | CYP19A1 (0.42) | CHRNB4CHRNA3 | |
| SCHEMBL2274269 | 0.70 | CHRM2 (0.45) | CHRNB4CHRNA3ALDH1A1CHRNA7CHRNB2 | |
| SCHEMBL20384062 | 0.70 | CHRM2 (0.45) | CHRNB4CHRNA3ALDH1A1CHRNA7CHRNB2 | |
| SCHEMBL19005655 | 0.68 | CHRNB4 (0.33) | CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL19005733 | 0.67 | CHRNB4 (0.40) | CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4 | |
| SCHEMBL20939371 | 0.65 | CHRM2 (0.47) | CHRNB4CHRNA3ALDH1A1CHRNA7CHRNB2 | |
| SCHEMBL17888212 | 0.65 | ALDH1A1 (0.45) | CHRNB4CHRNA3ALDH1A1CHRNA7CHRNB2 | |
| SCHEMBL19992145 | 0.65 | CHRM2 (0.47) | CHRNB4CHRNA3ALDH1A1CHRNA7CHRNB2 | |
| SCHEMBL26460989 | 0.64 | CYP1A2 (0.45) | CHRNB4CHRNA3ALDH1A1CHRNA7CHRNB2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017101796-A1 | PHTHALAZINONE DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2017-06-22 | — | — | WO | disclosed |