Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.32 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21386534 | 0.85 | HDAC1 (0.33) | TAAR1 | |
| SCHEMBL13890777 | 0.80 | — | — | |
| SCHEMBL14553755 | 0.78 | ALDH1A1 (0.41) | ALDH1A1TSHRHIF1ATAAR1 | |
| SCHEMBL15277107 | 0.74 | RAPGEF4 (0.36) | TAAR1 | |
| SCHEMBL1262846 | 0.73 | KMT2A (0.36) | ACHEAMY1AHSPA5ALDH1A1TSHR | |
| SCHEMBL6123894 | 0.71 | ACHE (0.41) | ACHEAMY1AHSPA5ALDH1A1TSHR | |
| SCHEMBL11836795 | 0.71 | KMT2A (0.38) | ACHEAMY1AHSPA5ALDH1A1TSHR | |
| SCHEMBL11840512 | 0.71 | ACHE (0.35) | ACHEAMY1AHSPA5ALDH1A1TSHR | |
| SCHEMBL7852920 | 0.70 | TAAR1 (0.56) | AMY1AALDH1A1TAAR1 | |
| SCHEMBL9022713 | 0.69 | RAPGEF4 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8129002-B2 | Compounds for use in liquid crystal media | MERCK PATENT GMBH (DE) | 2012-03-06 | — | — | US | disclosed |