Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5045982 | 1.00 | CES2 (0.41) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL1581746 | 0.98 | CES2 (0.37) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL7404164 | 0.89 | DRD2 (0.32) | DRD2DRD4DRD3 | |
| SCHEMBL13686470 | 0.82 | PIK3CD (0.32) | — | |
| SCHEMBL5042210 | 0.76 | CES2 (0.46) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL17430884 | 0.76 | CES2 (0.46) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL31221524 | 0.72 | — | — | |
| SCHEMBL31271239 | 0.72 | MEN1 (0.36) | ALDH1A1RAB9AMEN1KMT2AHTT | |
| SCHEMBL25240690 | 0.71 | CES2 (0.41) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL8644101 | 0.71 | CES2 (0.41) | CES2CES1HDAC8HDAC6TSHR |
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-5744071-A | Processes for preparing alkynyl ketones and precursors thereof | FMC CORPORATION (US) | 1998-04-28 | — | — | US | disclosed |