Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL19274546 | 0.79 | — | — | |
| SCHEMBL19159660 | 0.78 | MAPK1 (0.37) | ALDH1A1SLC6A3SLC6A4SLC6A2TSHR | |
| SCHEMBL20195364 | 0.77 | KCNH2 (0.35) | ALDH1A1SLC6A3SLC6A4SLC6A2SIGMAR1 | |
| SCHEMBL1259047 | 0.75 | KCNH2 (0.38) | ALDH1A1SLC6A3SLC6A4SLC6A2SIGMAR1 | |
| SCHEMBL20919908 | 0.75 | KCNH2 (0.38) | ALDH1A1SLC6A3SLC6A4SLC6A2SIGMAR1 | |
| SCHEMBL18581653 | 0.75 | DRD2 (0.41) | DRD2ALOX5TSHR | |
| SCHEMBL20195330 | 0.75 | DRD2 (0.41) | DRD2ALOX5TSHR | |
| SCHEMBL31408656 | 0.72 | ACHE (0.42) | CHRNB4CHRNA3NPC1RAB9AACHE | |
| SCHEMBL776053 | 0.72 | ACHE (0.42) | CHRNB4CHRNA3NPC1RAB9AACHE | |
| SCHEMBL21441940 | 0.71 | ACHE (0.33) | ALOX5MEN1KMT2AACHE |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2323974-A1 | METHODS FOR PREPARING FLUOROALKYL ARYLSULFINYL COMPOUNDS AND FLUORINATED COMPOUNDS THERETO | Ube Industries, Ltd. (JP) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010022001-A1 | METHODS FOR PREPARING FLUOROALKYL ARYLSULFINYL COMPOUNDS AND FLUORINATED COMPOUNDS THERETO | IM&T RESEARCH, INC. (US) | 2010-02-25 | — | — | WO | disclosed |