Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.31 |
| ▸ | TAB1 | Q15750 | 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 | |
|---|---|---|---|---|
| SCHEMBL666919 | 1.00 | ALDH1A1 (0.40) | ALDH1A1TSHRKEAP1NFE2L2HCAR2 | |
| SCHEMBL3200879 | 0.83 | ALDH1A1 (0.39) | ALDH1A1TSHRKEAP1NFE2L2HCAR2 | |
| SCHEMBL3200874 | 0.83 | ALDH1A1 (0.39) | ALDH1A1TSHRKEAP1NFE2L2HCAR2 | |
| SCHEMBL27542945 | 0.83 | ALDH1A1 (0.39) | ALDH1A1TSHRKEAP1NFE2L2HCAR2 | |
| SCHEMBL1896116 | 0.81 | ALDH1A1 (0.37) | ALDH1A1TSHRMAP3K7TAB1 | |
| SCHEMBL3993695 | 0.80 | TSHR (0.36) | TSHR | |
| SCHEMBL10898119 | 0.80 | TSHR (0.36) | TSHR | |
| SCHEMBL10687993 | 0.80 | TSHR (0.48) | ALDH1A1TSHRHCAR2SMN1; SMN2 | |
| SCHEMBL12391156 | 0.79 | ALDH1A1 (0.36) | ALDH1A1TSHR | |
| SCHEMBL31117771 | 0.78 | ALDH1A1 (0.33) | ALDH1A1KEAP1NFE2L2HCAR2SMN1; 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 |
|---|---|---|---|---|---|---|---|
| US-7378399-B2 | Avermectins substituted in the 4″ and 4′-positions having pesticidal properties | MERIAL LIMITED (US) | 2008-05-27 | — | — | US | disclosed |
| US-5118864-A | PREPARATION OF CYCLOPENTENONES | BASF AKTIENGESELLSCHAFT (DE) | 1992-06-02 | — | — | US | disclosed |