Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM7 | Q14831 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.45 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.45 |
| ▸ | MTOR | P42345 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9486611 | 0.82 | ALOX5 (0.49) | GRM7POLBHDAC3HDAC4HDAC1 | |
| SCHEMBL7559906 | 0.82 | HDAC3 (0.63) | GRM7POLBHDAC3HDAC4HDAC1 | |
| SCHEMBL4729281 | 0.82 | HDAC3 (0.63) | GRM7POLBHDAC3HDAC4HDAC1 | |
| SCHEMBL27850345 | 0.80 | L3MBTL1 (0.51) | GRM7POLBHDAC3HDAC4HDAC1 | |
| SCHEMBL28902007 | 0.80 | GRM7 (0.46) | GRM7POLBHDAC3HDAC4HDAC1 | |
| SCHEMBL2055558 | 0.78 | LMNA (0.55) | GRM7POLBHDAC3HDAC4HDAC1 | |
| SCHEMBL3135701 | 0.78 | LMNA (0.55) | GRM7POLBHDAC3HDAC4HDAC1 | |
| SCHEMBL2055561 | 0.78 | LMNA (0.55) | GRM7POLBHDAC3HDAC4HDAC1 | |
| SCHEMBL721905 | 0.76 | GRM7 (0.53) | GRM7POLBHDAC3HDAC4HDAC1 | |
| SCHEMBL18885406 | 0.76 | GPR88 (0.53) | GRM7POLBLMNAL3MBTL1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6743794-B2 | MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE | ELI LILLY AND COMPANY | 2004-06-01 | — | — | US | disclosed |