Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.54 |
| ▸ | RELA | Q04206 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | DHFR | P00374 | 1/20 | 0.53 |
| ▸ | CYSLTR1 | Q9Y271 | 5/20 | 0.51 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.51 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.51 |
| ▸ | CYSLTR2 | Q9NS75 | 4/20 | 0.50 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL30842277 | 0.86 | NPC1 (0.55) | MEN1KMT2AKDM4EALDH1A1NPC1 | |
| SCHEMBL18546229 | 0.84 | FFAR1 (0.48) | CYSLTR1FFAR1AKR1B1CYSLTR2PDE10A | |
| SCHEMBL1557935 | 0.82 | PTGS1 (0.53) | MEN1KMT2AKDM4EALDH1A1NPC1 | |
| SCHEMBL3950944 | 0.81 | KCNH2 (0.61) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL8588707 | 0.81 | PKM (0.59) | MEN1KMT2AKDM4EALDH1A1NPC1 | |
| SCHEMBL1558049 | 0.80 | KDM4E (0.54) | KDM4EALDH1A1NPC1NFKB1RAB9A | |
| SCHEMBL10547475 | 0.79 | CYSLTR1 (0.76) | CYSLTR1FFAR1AKR1B1CYSLTR2PDE10A | |
| SCHEMBL2913941 | 0.79 | PDE10A (0.61) | CYSLTR1CYSLTR2PDE10ACYP1A2CYP3A4 | |
| SCHEMBL15549053 | 0.79 | CYSLTR1 (0.51) | MEN1KMT2AKDM4EALDH1A1NPC1 | |
| SCHEMBL3270954 | 0.79 | CYSLTR1 (0.56) | MEN1KMT2ANPC1RAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104529889-B | A kind of dehydration C- alkylations of heterocyclic methyl compound | 温州大学 | 2018-09-04 | — | — | CN | disclosed |
| CN-104529889-A | Dehydration C-alkylation method for heterocyclic methyl compound | UNIV WENZHOU | 2015-04-22 | — | — | CN | disclosed |