Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 2/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.34 |
| ▸ | MAP2K2 | P36507 | 8/20 | 0.33 |
| ▸ | MAP2K1 | Q02750 | 8/20 | 0.33 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.32 |
| ▸ | HTR1B | P28222 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21475934 | 0.72 | MAP2K2 (0.39) | CREBBPMAP2K2MAP2K1ATAD2 | |
| SCHEMBL18113362 | 0.72 | PRKDC (0.41) | ALDH1A1KDM4EIMPDH2ERN1ATAD2 | |
| SCHEMBL20157938 | 0.71 | CREBBP (0.35) | CREBBPMAP2K2MAP2K1ATAD2 | |
| SCHEMBL20157933 | 0.71 | MAP2K1 (0.39) | CREBBPMAP2K2MAP2K1ATAD2 | |
| SCHEMBL248719 | 0.69 | ERN1 (0.50) | ALDH1A1KDM4EERN1 | |
| SCHEMBL12172358 | 0.68 | MAP2K2 (0.39) | KDM4ECREBBPMAP2K2MAP2K1ATAD2 | |
| SCHEMBL1885143 | 0.68 | ALDH1A1 (0.46) | ALDH1A1KDM4EIMPDH2ERN1ATM | |
| SCHEMBL2537941 | 0.67 | ALDH1A1 (0.53) | ALDH1A1KDM4EIMPDH2ERN1ATM | |
| SCHEMBL18014683 | 0.67 | ALDH1A1 (0.49) | ALDH1A1KDM4EIMPDH2ERN1HTR1D | |
| SCHEMBL24196406 | 0.67 | BRD4 (0.42) | CREBBPMAP2K2MAP2K1ATAD2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105622612-A | Aminotetrahydropyran derivative used as dipeptidyl peptidase-IV inhibitor | CHENGDU BESS CARREY BIOTECHNOLOGY CO LTD | 2016-06-01 | — | — | CN | disclosed |