Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.73 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.66 |
| ▸ | TSHR | P16473 | 3/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.63 |
| ▸ | MEN1 | O00255 | 1/20 | 0.63 |
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | HTT | P42858 | 2/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL2332683 | 0.97 | CYP3A4 (0.76) | GAACYP3A4ALOX15TSHRKMT2A | |
| SCHEMBL2335153 | 0.96 | GAA (0.79) | GAACYP3A4ALOX15TSHRKMT2A | |
| SCHEMBL2334030 | 0.89 | GAA (0.82) | GAACYP3A4ALOX15TSHRKMT2A | |
| SCHEMBL2336448 | 0.85 | GAA (1.00) | GAACYP3A4TSHRNPC1ALDH1A1 | |
| SCHEMBL2340254 | 0.83 | CYP3A4 (0.69) | GAACYP3A4ALOX15TSHRKMT2A | |
| SCHEMBL2334861 | 0.82 | CYP3A4 (0.68) | GAACYP3A4ALOX15TSHRKMT2A | |
| SCHEMBL2334417 | 0.74 | GAA (0.59) | GAACYP3A4TSHRKMT2ACYP2C9 | |
| SCHEMBL2339357 | 0.74 | CYP3A4 (0.57) | GAACYP3A4KMT2ACYP2C9MEN1 | |
| SCHEMBL2330482 | 0.73 | GAA (0.77) | GAACYP3A4TSHRKMT2AMEN1 | |
| SCHEMBL252628 | 0.73 | CYP3A4 (0.79) | GAACYP3A4ALOX15TSHRKMT2A |
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 |