Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MME | P08473 | 1/20 | 0.31 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 3/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 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 | |
|---|---|---|---|---|
| SCHEMBL18193481 | 0.97 | CYP1A2 (0.38) | CYP2C19CYP1A2USP2SMN1; SMN2HTT | |
| SCHEMBL59600 | 0.79 | CYP2C19 (0.41) | CYP2C19CYP1A2USP2SMN1; SMN2HTT | |
| SCHEMBL2837316 | 0.77 | KMT2A (0.40) | CYP2C19CYP1A2USP2SMN1; SMN2HTT | |
| SCHEMBL7824150 | 0.77 | CYP2C19 (0.39) | CYP2C19CYP1A2USP2SMN1; SMN2HTT | |
| SCHEMBL10808711 | 0.75 | ALDH1A1 (0.40) | CYP2C19CYP1A2USP2SMN1; SMN2HTT | |
| SCHEMBL2533761 | 0.75 | CYP2C19 (0.38) | CYP2C19CYP1A2USP2SMN1; SMN2HTT | |
| Bromide SCHEMBL16057314 | 0.75 | KMT2A (0.39) | CYP2C19CYP1A2USP2SMN1; SMN2HTT | |
| SCHEMBL14253223 | 0.75 | CYP2C19 (0.38) | CYP2C19CYP1A2USP2SMN1; SMN2HTT | |
| Hydrochloric Acid SCHEMBL1226520 | 0.75 | KMT2A (0.39) | CYP2C19CYP1A2USP2SMN1; SMN2HTT | |
| SCHEMBL2532414 | 0.75 | CYP2C19 (0.38) | CYP2C19CYP1A2USP2SMN1; SMN2HTT |
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-0516980-B1 | Novel 2-mercaptomethylene-tetrahydronaphthalene and indane-2-carboxamide derivatives as enkephalinase inhibitors | MERRELL PHARMA INC (US) | 1996-04-17 | — | — | EP | disclosed |