Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | MITF | O75030 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | GFER | P55789 | 1/20 | 0.50 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.45 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL17810249 | 0.81 | ALDH1A1 (0.55) | ALDH1A1MITFHTTRAB9AGFER | |
| SCHEMBL30101423 | 0.79 | ALDH1A1 (0.53) | ALDH1A1MITFHTTRAB9AGFER | |
| SCHEMBL23775098 | 0.77 | ALDH1A1 (0.50) | ALDH1A1MITFHTTRAB9AGFER | |
| SCHEMBL6551651 | 0.76 | ALDH1A1 (0.50) | ALDH1A1MITFHTTRAB9AGFER | |
| SCHEMBL8267685 | 0.76 | ALDH1A1 (0.69) | ALDH1A1MITFHTTRAB9AGFER | |
| SCHEMBL433071 | 0.76 | ALDH1A1 (0.50) | ALDH1A1MITFHTTRAB9AGFER | |
| SCHEMBL1205842 | 0.76 | GAA (0.71) | ALDH1A1MITFHTTRAB9AGFER | |
| SCHEMBL8667464 | 0.76 | ALDH1A1 (0.50) | ALDH1A1MITFHTTRAB9AGFER | |
| SCHEMBL6552989 | 0.76 | ALDH1A1 (0.50) | ALDH1A1MITFHTTRAB9AGFER | |
| SCHEMBL6979453 | 0.76 | GAA (0.71) | ALDH1A1MITFHTTRAB9AGFER |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5472961-A | Acetamides | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1995-12-05 | — | — | US | claimed |
| US-5472961-A | Acetamides | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1995-12-05 | — | — | US | disclosed |
| EP-0670318-A2 | Acetamides with analgesic and neuroprotective activity | MERCK PATENT GmbH (DE) | 1995-09-06 | — | — | EP | disclosed |