Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.49 |
| ▸ | APAF1 | O14727 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10802997 | 0.88 | APAF1 (0.42) | PDPK1APAF1SLC6A3ADRB2ADRB1 | |
| SCHEMBL20544211 | 0.76 | PDPK1 (0.60) | PDPK1SLC6A3ALDH1A1ALKBH5GAA | |
| SCHEMBL10789286 | 0.75 | PDPK1 (0.46) | PDPK1SLC6A3ALDH1A1ALKBH5HTT | |
| SCHEMBL29664591 | 0.74 | KMT2A (0.53) | PDPK1APAF1SLC6A3ALDH1A1ALKBH5 | |
| SCHEMBL23215107 | 0.74 | KMT2A (0.53) | PDPK1APAF1SLC6A3ALDH1A1ALKBH5 | |
| SCHEMBL20544118 | 0.71 | PDPK1 (0.51) | PDPK1SLC6A3ALDH1A1ALKBH5GAA | |
| Propionic Acid SCHEMBL11145356 | 0.71 | MEN1 (0.54) | ADRB2ADRB1ADRB3GAAKMT2A | |
| SCHEMBL11404076 | 0.71 | MME (0.47) | PDPK1APAF1SLC6A3ALDH1A1ALKBH5 | |
| Acetic Acid SCHEMBL11142923 | 0.70 | MEN1 (0.57) | ADRB2ADRB1ADRB3GAAKMT2A | |
| SCHEMBL2577670 | 0.70 | SLC6A3 (0.65) | PDPK1SLC6A3ALDH1A1ALKBH5CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0158545-B1 | [Alpha-(alkylaminomethyl)-benzylthio]-acetic-acid derivatives, process for their preparation and their therapeutic use | LABORATOIRE L. LAFON Société anonyme dite: (FR) | 1987-04-22 | — | — | EP | disclosed |