Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2332655 | 0.97 | ALDH1A1 (0.69) | ALDH1A1KDM4EKMT2AMAPTHTT | |
| SCHEMBL2333958 | 0.90 | ALDH1A1 (0.70) | ALDH1A1KDM4EKMT2AMAPTHTT | |
| SCHEMBL2334153 | 0.84 | ALDH1A1 (0.57) | ALDH1A1KDM4EKMT2AMAPTHTT | |
| SCHEMBL2338413 | 0.83 | ALDH1A1 (0.61) | ALDH1A1KDM4EMAPTHTTTSHR | |
| SCHEMBL2338907 | 0.82 | ALDH1A1 (0.75) | ALDH1A1KDM4EKMT2AMAPTHTT | |
| SCHEMBL2331094 | 0.82 | ALDH1A1 (0.54) | ALDH1A1KDM4EKMT2AMAPTHTT | |
| SCHEMBL2333920 | 0.81 | ALDH1A1 (0.54) | ALDH1A1KDM4EKMT2AMAPTHTT | |
| SCHEMBL2336637 | 0.81 | L3MBTL1 (0.57) | ALDH1A1KDM4EKMT2AMAPTHTT | |
| SCHEMBL2337026 | 0.81 | ALDH1A1 (0.56) | ALDH1A1KDM4EKMT2AMAPTHTT | |
| SCHEMBL2337628 | 0.80 | ALDH1A1 (0.53) | ALDH1A1KDM4EKMT2AMAPTHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2358682-A2 | ISOQUINOLONE DERIVATIVES AS INHIBITORS OF PLAVIVIRUS REPLICATION | Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) | 2011-08-24 | — | — | EP | disclosed |