Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.39 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.33 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.33 |
| ▸ | PLA2G5 | P39877 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | ACE | P12821 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5235899 | 0.73 | KMT2A (0.41) | SIRT1SIRT2KMT2AL3MBTL1ALDH1A1 | |
| SCHEMBL4671695 | 0.67 | KMT2A (0.45) | KMT2AL3MBTL1OPRD1ALDH1A1NPFFR1 | |
| SCHEMBL4748075 | 0.67 | KMT2A (0.42) | SIRT1SIRT2KMT2AL3MBTL1OPRK1 | |
| SCHEMBL8399553 | 0.65 | MAPK1 (0.48) | KMT2AOPRK1OPRD1ALDH1A1MAPK1 | |
| SCHEMBL27595008 | 0.65 | PLA2G10 (0.41) | SIRT1SIRT2KMT2AL3MBTL1OPRK1 | |
| SCHEMBL5232248 | 0.65 | ALDH1A1 (0.43) | KMT2AL3MBTL1OPRD1ALDH1A1TSHR | |
| Ethylbenzene SCHEMBL27571280 | 0.64 | TP53 (0.50) | KMT2AALDH1A1TSHR | |
| SCHEMBL7498037 | 0.64 | CTSS (0.41) | KMT2AL3MBTL1SCN9ABCHEACE | |
| SCHEMBL7498039 | 0.64 | CTSS (0.41) | KMT2AL3MBTL1SCN9ABCHEACE | |
| Trifluoroacetic Acid SCHEMBL4673565 | 0.64 | HPGD (0.45) | KMT2AALDH1A1TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0990654-B1 | SUBSTITUTED CYCLOBUTYLAMINE DERIVATIVES | DAIICHI SANKYO CO LTD (JP) | 2007-11-14 | — | — | EP | disclosed |
| US-6448266-B1 | COMPOUNDS SUCH AS 2-AMINO-7-(3-(3-AMINO-1-FLUOROCYCLOBUTAN-3-YL)PYRROLIDIN-1-YL)-6-FLUORO-1-(2-FLUORO-1-CYCLOPROPYL)-8-METHYL-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLIC ACID; ANTIBACTERIAL ACTIVITY; STAPHYLOCOCCUS, PNEUMOCOCCUS | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2002-09-10 | — | — | US | disclosed |
| EP-0990654-A1 | SUBSTITUTED CYCLOBUTYLAMINE DERIVATIVES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2000-04-05 | — | — | EP | disclosed |