Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.84 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.61 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.57 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.53 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.53 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.53 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.53 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Benzylacetone SCHEMBL28182445 | 0.98 | ALDH1A1 (0.81) | ALDH1A1TDP1L3MBTL1KEAP1FFAR1 | |
| Benzylacetone SCHEMBL1346 | 0.92 | ALDH1A1 (1.00) | ALDH1A1TDP1L3MBTL1KEAP1FFAR1 | |
| Benzylacetone SCHEMBL29808345 | 0.90 | ALDH1A1 (0.95) | ALDH1A1TDP1L3MBTL1KEAP1FFAR1 | |
| Benzylacetone SCHEMBL11768872 | 0.90 | ALDH1A1 (0.95) | ALDH1A1TDP1L3MBTL1KEAP1FFAR1 | |
| Benzylacetone SCHEMBL28253797 | 0.90 | ALDH1A1 (0.95) | ALDH1A1TDP1L3MBTL1KEAP1FFAR1 | |
| Benzylacetone SCHEMBL23581088 | 0.90 | ALDH1A1 (0.95) | ALDH1A1TDP1L3MBTL1KEAP1FFAR1 | |
| Benzylacetone SCHEMBL10786223 | 0.90 | ALDH1A1 (0.95) | ALDH1A1TDP1L3MBTL1KEAP1FFAR1 | |
| Benzylacetone SCHEMBL29892054 | 0.90 | ALDH1A1 (0.95) | ALDH1A1TDP1L3MBTL1KEAP1FFAR1 | |
| Benzylacetone SCHEMBL21048732 | 0.90 | ALDH1A1 (0.95) | ALDH1A1TDP1L3MBTL1KEAP1FFAR1 | |
| Benzylacetone SCHEMBL27945817 | 0.90 | ALDH1A1 (0.95) | ALDH1A1TDP1L3MBTL1KEAP1FFAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106795117-A | Heterobicyclic compounds and their use for the treatment of tuberculosis | 大塚制药株式会社 | 2017-05-31 | — | — | CN | disclosed |