Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K14 | Q99558 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 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 | |
|---|---|---|---|---|
| SCHEMBL8311155 | 0.89 | AKR1B1 (0.32) | MAP3K14AKR1B1 | |
| SCHEMBL8310355 | 0.88 | AKR1B1 (0.34) | AKR1B1 | |
| SCHEMBL8315276 | 0.87 | BACE1 (0.33) | AKR1B1 | |
| SCHEMBL8314858 | 0.86 | — | — | |
| SCHEMBL8313605 | 0.86 | HTR2B (0.35) | — | |
| SCHEMBL8311440 | 0.85 | AKR1B1 (0.34) | AKR1B1 | |
| SCHEMBL8315522 | 0.85 | BACE1 (0.33) | ALDH1A1LMNAGAASMN1; SMN2 | |
| SCHEMBL8313650 | 0.85 | PDK2 (0.32) | — | |
| SCHEMBL8311392 | 0.84 | AKR1B1 (0.32) | AKR1B1 | |
| SCHEMBL8315199 | 0.84 | ABCC9 (0.33) | ALDH1A1SMN1; SMN2 |
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-0626954-B1 | BENZOCYCLOHEPTENES, BENZOXEPINES AND BENZOTHIEPINES | MERCK PATENT GMBH (DE) | 1999-03-17 | — | — | EP | disclosed |
| US-5602152-A | POTASSIUM CHANNEL MODULATOR | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-02-11 | — | — | US | disclosed |