Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA4 | P43681 | 2/20 | 0.46 |
| ▸ | HMGCR | P04035 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.36 |
| ▸ | WNT3A | P56704 | 1/20 | 0.36 |
| ▸ | HPGDS | O60760 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL6853608 | 0.79 | CHRNA4 (0.49) | CHRNA4CA9MEN1KMT2AHTT | |
| SCHEMBL5153364 | 0.79 | CHRNA4 (0.49) | CHRNA4CA9KMT2AHTTKDM4E | |
| SCHEMBL25798947 | 0.77 | CHRNB2 (0.41) | CHRNA4MEN1KMT2AKDM4ERAB9A | |
| SCHEMBL22068300 | 0.77 | CHRNA4 (0.48) | CHRNA4HTTKDM4EALDH1A1NPC1 | |
| SCHEMBL7072378 | 0.77 | CHRNA4 (0.49) | CHRNA4CA9MEN1KMT2AKDM4E | |
| SCHEMBL7752801 | 0.75 | KMT2A (0.39) | CA9MEN1KMT2AKDM4ERAB9A | |
| SCHEMBL6849922 | 0.75 | MAPT (0.53) | CHRNA4CA9MEN1KMT2AKDM4E | |
| SCHEMBL11386832 | 0.75 | HSP90AB1 (0.41) | HMGCRCA9MEN1KMT2AKDM4E | |
| SCHEMBL8002714 | 0.75 | HSP90AB1 (0.41) | HMGCRCA9MEN1KMT2AHTT | |
| SCHEMBL6849820 | 0.73 | CHRNB2 (0.41) | CHRNA4MEN1KMT2AKDM4ERAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6831177-B1 | Preparation of their intermediates, 2-acyl-5-benzylfuran derivatives and 1,2,4-triazole-3- carboxylic acid ester derivatives | SHIONOGI & CO., LTD. (JP) | 2004-12-14 | — | — | US | disclosed |
| EP-1186599-A1 | NOVEL PROCESSES FOR THE PREPARATION OF SUBSTITUTED PROPENONE DERIVATIVES | SHIONOGI & CO., LTD. (JP) | 2002-03-13 | — | — | EP | disclosed |