Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MALT1 | Q9UDY8 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15960759 | 0.75 | CYP2C9 (0.52) | MALT1ALDH1A1GLAGAAMEN1 | |
| SCHEMBL14722794 | 0.75 | CYP2C9 (0.52) | MALT1ALDH1A1GLAGAAMEN1 | |
| SCHEMBL9952811 | 0.74 | MALT1 (0.51) | MALT1ALDH1A1GLAGAAMEN1 | |
| SCHEMBL9951942 | 0.70 | MAPT (0.47) | MALT1ALDH1A1GLAGAAMEN1 | |
| SCHEMBL2340681 | 0.69 | CYP2C9 (0.52) | ALDH1A1GLAGAAMEN1KMT2A | |
| SCHEMBL14424881 | 0.69 | CYP1A2 (0.59) | MALT1ALDH1A1GLAGAAMEN1 | |
| SCHEMBL14424792 | 0.68 | MAPK1 (0.55) | ALDH1A1GLAGAAMEN1KMT2A | |
| SCHEMBL2338076 | 0.67 | CYP2C9 (0.51) | ALDH1A1GLAGAAMEN1KMT2A | |
| SCHEMBL2335500 | 0.67 | CYP2C9 (0.54) | ALDH1A1GLAGAAMEN1KMT2A | |
| SCHEMBL2333455 | 0.67 | CYP2C9 (0.54) | ALDH1A1GAAMEN1KMT2AMAPT |
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-2013027196-A1 | SUBSTITUTED 2-ALKYL-1-OXO-N-PHENYL-3-HETEROARYL-1,2,3,4- TETRAHYDROISOQUINOLINE-4-CARBOXAMIDES FOR ANTIMALARIAL THERAPIES | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2013-02-28 | — | — | WO | disclosed |