Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | PTK2 | Q05397 | 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 | |
|---|---|---|---|---|
| SCHEMBL24328743 | 0.84 | BRD4 (0.42) | MEN1KMT2AALDH1A1HPGDKDM4E | |
| SCHEMBL24329754 | 0.84 | BRD4 (0.42) | KMT2AKDM4E | |
| SCHEMBL24329187 | 0.82 | KCNH2 (0.38) | KMT2AALDH1A1HPGDKCNH2 | |
| SCHEMBL29564321 | 0.81 | TP53 (0.34) | MEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL24329099 | 0.80 | KMT2A (0.40) | MEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL29565262 | 0.80 | ALDH1A1 (0.36) | MEN1KMT2AALDH1A1HPGDKDM4E | |
| SCHEMBL29564756 | 0.80 | TDP1 (0.32) | MEN1KMT2A | |
| SCHEMBL24329733 | 0.74 | ACHE (0.44) | MEN1KMT2ASLC6A4SLC6A3ACHE | |
| SCHEMBL24329755 | 0.72 | — | — | |
| SCHEMBL24329174 | 0.68 | HTR2A (0.34) | ALDH1A1 |
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-2022080346-A1 | NOVEL NITROGEN-CONTAINING CYCLIC COMPOUND AND APPLICATION THEREOF | 国立大学法人佐賀大学 | 2022-04-21 | — | — | WO | disclosed |