Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT3 | Q9NTG7 | 2/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | MC3R | P41968 | 1/20 | 0.40 |
| ▸ | F7 | P08709 | 1/20 | 0.39 |
| ▸ | F3 | P13726 | 1/20 | 0.39 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.39 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.39 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.39 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.39 |
| ▸ | SIRT4 | Q9Y6E7 | 1/20 | 0.39 |
| ▸ | MKNK1 | Q9BUB5 | 4/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 4/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2770960 | 0.81 | SIRT3 (0.61) | SIRT3TDP1KDM4EHTTGAA | |
| SCHEMBL27514150 | 0.76 | GAA (0.53) | KDM4EHTTGAATSHRSIRT2 | |
| SCHEMBL1330970 | 0.74 | TDP1 (0.67) | SIRT3TDP1KDM4EHTTGAA | |
| SCHEMBL1687197 | 0.74 | TDP1 (0.67) | SIRT3TDP1KDM4EHTTGAA | |
| SCHEMBL1265706 | 0.73 | SIRT3 (1.00) | SIRT3TDP1KDM4EHTTGAA | |
| SCHEMBL29682389 | 0.73 | SIRT3 (1.00) | SIRT3TDP1KDM4EHTTGAA | |
| SCHEMBL29741235 | 0.73 | TDP1 (0.59) | SIRT3TDP1KDM4EHTTGAA | |
| SCHEMBL4306411 | 0.73 | TDP1 (0.55) | SIRT3TDP1KDM4EHTTGAA | |
| SCHEMBL29740415 | 0.73 | TDP1 (0.59) | SIRT3TDP1KDM4EHTTGAA | |
| Acetone SCHEMBL5667714 | 0.71 | SIRT3 (0.58) | SIRT3TDP1KDM4EHTTGAA |
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 |