Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 3/20 | 0.31 |
| ▸ | HTR5A | P47898 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7144459 | 0.95 | BCHE (0.33) | BCHEACHEHTR5AKDM4ELMNA | |
| SCHEMBL7143484 | 0.74 | MEN1 (0.30) | — | |
| SCHEMBL7759088 | 0.73 | HTR2A (0.37) | BCHEACHECES2CNR2KDM4E | |
| SCHEMBL7146583 | 0.67 | — | — | |
| SCHEMBL7140452 | 0.67 | ALDH1A1 (0.38) | KDM4EHSD17B10 | |
| SCHEMBL7140456 | 0.67 | ALDH1A1 (0.38) | KDM4EHSD17B10 | |
| SCHEMBL7146587 | 0.67 | — | — | |
| SCHEMBL27908834 | 0.65 | — | — | |
| SCHEMBL6488206 | 0.65 | — | — | |
| SCHEMBL7144690 | 0.65 | JAK2 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106243112-A | A kind of phthalazinone derivatives, the preparation method of this derivant and catalyst for preparing thereof | 马鞍山市泰博化工科技有限公司 | 2016-12-21 | — | — | CN | disclosed |