Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 7/20 | 0.39 |
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.31 |
| ▸ | SYK | P43405 | 1/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL28048977 | 0.88 | S1PR3 (0.34) | LCKBRAF | |
| SCHEMBL2525712 | 0.88 | AAK1 (0.40) | LCKAAK1 | |
| SCHEMBL2521268 | 0.88 | LCK (0.37) | LCKAAK1BRAFSYK | |
| SCHEMBL2522570 | 0.83 | LCK (0.38) | LCKSYK | |
| SCHEMBL28048973 | 0.82 | LCK (0.34) | LCKCA1CA2 | |
| SCHEMBL2518575 | 0.81 | NPC1 (0.38) | LCKSYK | |
| SCHEMBL2518546 | 0.81 | LCK (0.37) | LCKAAK1 | |
| SCHEMBL2523163 | 0.81 | PIM1 (0.36) | LCKBRAFSYKCYP17A1 | |
| SCHEMBL2523289 | 0.81 | MAPT (0.39) | LCKCYP17A1 | |
| SCHEMBL6524464 | 0.80 | ACVR1B (0.40) | LCKBRAF |
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-102625807-B | 4-Substituted pyridin-3-yl-carboxamide compounds and methods of use | HOFFMAN-LA ROCHE LTD. (CH) | 2016-03-09 | — | — | CN | disclosed |