Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 7/20 | 0.38 |
| ▸ | PKM | P14618 | 4/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.36 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.34 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | TEAD3 | Q99594 | 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 | |
|---|---|---|---|---|
| SCHEMBL8206826 | 1.00 | SCN9A (0.38) | SCN9APKMDPP4DPP8DPP7 | |
| Hydrochloric Acid SCHEMBL4994773 | 0.99 | SCN9A (0.38) | SCN9APKMDPP4DPP8DPP7 | |
| Hydrochloric Acid SCHEMBL4994783 | 0.99 | SCN9A (0.38) | SCN9APKMDPP4DPP8DPP7 | |
| SCHEMBL8209635 | 0.92 | GAA (0.36) | SCN9APKMDPP4DPP8DPP7 | |
| Hydrochloric Acid SCHEMBL4993551 | 0.91 | GAA (0.35) | SCN9APKMDPP4DPP8DPP7 | |
| SCHEMBL4992313 | 0.79 | SCN9A (0.60) | SCN9ASCN10A | |
| SCHEMBL4992322 | 0.79 | SCN9A (0.60) | SCN9ASCN10A | |
| SCHEMBL14093724 | 0.76 | GAA (0.39) | DPP4DPP8DPP7GAAMEN1 | |
| SCHEMBL4988616 | 0.76 | GAA (0.39) | DPP4DPP8DPP7GAAMEN1 | |
| Hydrochloric Acid SCHEMBL4988622 | 0.75 | GAA (0.38) | DPP4DPP8DPP7GAAMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008034735-A2 | 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[B][1,4]DIAZEPINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-03-27 | — | — | WO | disclosed |