Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1543952 | 0.91 | MEN1 (0.43) | ALDH1A1MEN1KMT2AKDM4EHPGD | |
| SCHEMBL1544434 | 0.88 | ALDH1A1 (0.39) | ALDH1A1MEN1KMT2AKDM4EHPGD | |
| SCHEMBL1543988 | 0.85 | KCNH2 (0.45) | ALDH1A1MEN1KMT2AKDM4ETP53 | |
| SCHEMBL1544075 | 0.84 | MEN1 (0.40) | ALDH1A1MEN1KMT2AKDM4EHPGD | |
| SCHEMBL1544718 | 0.82 | KCNH2 (0.43) | ALDH1A1MEN1KMT2AKDM4EHPGD | |
| SCHEMBL1544098 | 0.81 | KCNH2 (0.47) | ALDH1A1MEN1KMT2ATP53SMN1; SMN2 | |
| SCHEMBL1543663 | 0.81 | ALDH1A1 (0.36) | ALDH1A1MEN1KMT2AKDM4EHPGD | |
| SCHEMBL1543943 | 0.81 | GRM5 (0.41) | ALDH1A1MEN1KMT2AKDM4EHPGD | |
| SCHEMBL1543611 | 0.81 | ALDH1A1 (0.37) | ALDH1A1MEN1KMT2AKDM4EHPGD | |
| SCHEMBL1543976 | 0.80 | KMT2A (0.42) | ALDH1A1MEN1KMT2AKDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1723144-A1 | ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | AstraZeneca AB (SE) | 2006-11-22 | — | — | EP | disclosed |
| WO-2006014185-A1 | ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | ASTRAZENECA AB (SE) | 2006-02-09 | — | — | WO | disclosed |