Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 3/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.31 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.31 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.31 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.31 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.31 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.31 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.31 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.30 |
| ▸ | KCNQ5 | Q9NR82 | 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 | |
|---|---|---|---|---|
| SCHEMBL28037292 | 1.00 | CES2 (0.36) | CES2CES1RIPK1MAOAMAOB | |
| SCHEMBL28062336 | 0.87 | MAOA (0.32) | MAOAMAOB | |
| SCHEMBL28062335 | 0.87 | MAOA (0.32) | MAOAMAOB | |
| SCHEMBL17102154 | 0.75 | CES2 (0.40) | CES2CES1RIPK1 | |
| SCHEMBL15524008 | 0.72 | CES2 (0.40) | CES2CES1MAOAMAOBPSEN1 | |
| SCHEMBL15524498 | 0.72 | CES2 (0.40) | CES2CES1MAOAMAOBPSEN1 | |
| SCHEMBL15524496 | 0.72 | CES2 (0.40) | CES2CES1MAOAMAOBPSEN1 | |
| SCHEMBL19712089 | 0.72 | CES2 (0.40) | CES2CES1MAOAMAOBPSEN1 | |
| SCHEMBL15524009 | 0.72 | CES2 (0.40) | CES2CES1MAOAMAOBPSEN1 | |
| SCHEMBL17380662 | 0.70 | TRPA1 (0.41) | CES2CES1KCNQ4KCNQ5 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105531277-A | Pyrrolo-imidazole ring derivatives and their use in medicine | SICHUAN HAISCO PHARMACEUTICAL CO LTD | 2016-04-27 | — | — | CN | disclosed |
| CN-105518008-A | Amino pyranoid ring derivative and composition and use thereof | SICHUAN HAISCO PHARMACEUTICAL CO LTD | 2016-04-20 | — | — | CN | disclosed |
| CN-105294694-A | Amino hexatomic ring derivative and application thereof to medicine | SICHUAN HAISCO PHARMACEUTICAL CO LTD | 2016-02-03 | — | — | CN | disclosed |
| CN-105085530-A | Fused tricyclic substituted amino six-membered ring derivative and application thereof in medicine | SICHUAN HAISCO PHARMACEUTICAL CO LTD | 2015-11-25 | — | — | CN | disclosed |
| CN-105037367-A | Amino six-membered ring derivative and application thereof in medicines | SICHUAN HAISCO PHARMACEUTICAL CO LTD | 2015-11-11 | — | — | CN | disclosed |