Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | MLYCD | O95822 | 7/20 | 0.46 |
| ▸ | VNN1 | O95497 | 2/20 | 0.42 |
| ▸ | SCD | O00767 | 2/20 | 0.41 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RBP4 | P02753 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21962773 | 1.00 | CCR2 (0.47) | CCR2KCNH2MLYCDVNN1SCD | |
| SCHEMBL21962720 | 0.93 | CCR2 (0.47) | CCR2KCNH2MLYCDVNN1GAA | |
| SCHEMBL21962694 | 0.86 | VNN1 (0.42) | MLYCDVNN1CYP2C9SLC9A1 | |
| SCHEMBL22019146 | 0.86 | VNN1 (0.42) | MLYCDVNN1CYP2C9SLC9A1 | |
| SCHEMBL21962439 | 0.85 | VNN1 (0.42) | MLYCDVNN1 | |
| SCHEMBL22020530 | 0.85 | VNN1 (0.42) | MLYCDVNN1 | |
| SCHEMBL21962852 | 0.84 | VNN1 (0.43) | CCR2KCNH2MLYCDVNN1CYP2C9 | |
| SCHEMBL22020044 | 0.84 | VNN1 (0.43) | CCR2KCNH2MLYCDVNN1CYP2C9 | |
| SCHEMBL21962446 | 0.83 | SCD (0.46) | MLYCDVNN1SCDCYP2C9KDM4E | |
| SCHEMBL21962542 | 0.82 | RAF1 (0.48) | MLYCDVNN1SCDCYP2C9KDM4E |
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-2020102575-A1 | HETEROCYCLIC AMINOTHIAZOLES AND USES THEREOF | INCEPTION IBD, INC. (US) | 2020-05-22 | — | — | WO | disclosed |