Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TAS2R46 | P59540 | 4/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | TAS2R31 | P59538 | 2/20 | 0.34 |
| ▸ | TAS2R10 | Q9NYW0 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13120286 | 1.00 | KMT2A (0.48) | KMT2AMEN1SMN1; SMN2TAS2R46TP53 | |
| SCHEMBL13105410 | 1.00 | KMT2A (0.48) | KMT2AMEN1SMN1; SMN2TAS2R46TP53 | |
| SCHEMBL19215282 | 0.82 | KMT2A (0.40) | KMT2AMEN1SMN1; SMN2TAS2R46TP53 | |
| SCHEMBL16683497 | 0.82 | TAS2R46 (0.36) | KMT2AMEN1SMN1; SMN2TAS2R46RECQL | |
| SCHEMBL13577727 | 0.78 | TAS2R46 (0.35) | KMT2AMEN1SMN1; SMN2TAS2R46RECQL | |
| SCHEMBL165377 | 0.76 | — | — | |
| SCHEMBL15308119 | 0.76 | KMT2A (0.52) | KMT2AMEN1SMN1; SMN2TAS2R46TP53 | |
| SCHEMBL13105411 | 0.75 | POLB (0.36) | KMT2AMEN1TAS2R46RECQLTAS2R31 | |
| SCHEMBL19954237 | 0.75 | TAS2R46 (0.33) | KMT2AMEN1TAS2R46RECQLTAS2R31 | |
| SCHEMBL1092476 | 0.71 | — | — |
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-8431726-B2 | Preparation method of (3S,4S)-3-hexyl-4-((R)-2-hydroxytridecyl)-oxetan-2-one and the product of that method | Chongqing Zhien Pharmaceutical Co., Ltd. | 2013-04-30 | — | — | US | disclosed |