Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 6/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 6/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.35 |
| ▸ | CHRNA2 | Q15822 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.35 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | HTR3B | O95264 | 1/20 | 0.35 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.35 |
| ▸ | CHRNG | P07510 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19005767 | 0.73 | CHRNB4 (0.38) | CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7 | |
| SCHEMBL19005765 | 0.72 | TDO2 (0.32) | CHRNB4CHRNA3 | |
| SCHEMBL19005644 | 0.72 | CHRNB4 (0.38) | CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL12050217 | 0.69 | CYP11B2 (0.35) | CHRNB4CHRNA3CHRNB2CHRNA4CYP17A1 | |
| SCHEMBL12256568 | 0.69 | CYP11B2 (0.35) | CHRNB4CHRNA3CHRNB2CHRNA4CYP17A1 | |
| SCHEMBL19005736 | 0.69 | CHRNB4 (0.35) | CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL3203108 | 0.69 | KDM4E (0.34) | ALDH1A1 | |
| SCHEMBL14218860 | 0.69 | — | — | |
| SCHEMBL24377497 | 0.67 | CHRNB4 (0.33) | CHRNB4CHRNA3CHRNB2CHRNA4CYP17A1 | |
| SCHEMBL3199478 | 0.67 | CHRNB2 (0.35) | CHRNB4CHRNA3CHRNB2CHRNA4 |
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 |