Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | NQO1 | P15559 | 6/20 | 0.38 |
| ▸ | CDK4 | P11802 | 1/20 | 0.37 |
| ▸ | CCND1 | P24385 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 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 | |
|---|---|---|---|---|
| Furan SCHEMBL28136174 | 0.86 | CYP1A2 (0.39) | NQO1CDK4CCND1ALDH1A1MAPT | |
| SCHEMBL27340861 | 0.86 | ALDH1A1 (0.44) | NQO1CDK4CCND1ALDH1A1MAPT | |
| SCHEMBL29798977 | 0.86 | ALDH1A1 (0.44) | NQO1CDK4CCND1ALDH1A1MAPT | |
| SCHEMBL27675772 | 0.81 | MAPT (0.39) | CA1CA9NQO1CDK4CCND1 | |
| SCHEMBL27267954 | 0.81 | CA1 (0.43) | CA1CA9NQO1CDK4CCND1 | |
| Toluene SCHEMBL28241419 | 0.80 | CA1 (0.37) | CA1CA9NQO1ALDH1A1MAPT | |
| SCHEMBL28013632 | 0.78 | NQO1 (0.36) | NQO1CDK4CCND1ALDH1A1MAPT | |
| Tetrahydrofuran SCHEMBL28247949 | 0.76 | CA1 (0.38) | CA1CA9NQO1KIF11 | |
| SCHEMBL27585713 | 0.76 | CA1 (0.38) | CA1CA9NQO1CDK4CCND1 | |
| Ether SCHEMBL28248062 | 0.76 | NQO1 (0.38) | CA1CA9NQO1ALDH1A1MAPT |
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-100374439-C | Pyrido' 2, 1-A-isoquinoline derivatives as DPP-IV inhibitors | HOFFMANN LA ROCHE CO LTD (CH) | 2008-03-12 | — | — | CN | disclosed |
| CN-1809568-A | Pyrid (2, 1-a) - isoquinoline derivatives as dpp-iv inhibitors | HOFFMANN LA ROCHE (CH) | 2006-07-26 | — | — | CN | disclosed |