Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MMP14 | P50281 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10694828 | 0.83 | CA1 (0.44) | TSHRALDH1A1POLBMAPK1TDP1 | |
| SCHEMBL2817150 | 0.83 | ALDH1A1 (0.49) | ALDH1A1POLBMAPK1MAPTCA1 | |
| SCHEMBL28680251 | 0.78 | CYP1A2 (0.46) | ALDH1A1MAPTMEN1KMT2ACES1 | |
| SCHEMBL10943065 | 0.76 | TSHR (0.52) | TSHRALDH1A1POLBMAPK1TDP1 | |
| SCHEMBL8749758 | 0.75 | ALDH1A1 (0.46) | ALDH1A1POLBMAPK1TDP1MAPT | |
| SCHEMBL8666047 | 0.75 | ALDH1A1 (0.46) | ALDH1A1POLBMAPK1TDP1MAPT | |
| SCHEMBL2873973 | 0.75 | MAPT (0.51) | ALDH1A1POLBMAPK1MAPTMEN1 | |
| SCHEMBL12982916 | 0.74 | TSHR (0.50) | TSHRALDH1A1POLBTDP1CA1 | |
| SCHEMBL28455171 | 0.74 | HSD17B10 (0.48) | ALDH1A1POLBMAPK1TDP1MAPT | |
| SCHEMBL7865942 | 0.74 | HSD11B1 (0.49) | ALDH1A1POLBMAPK1TDP1MAPT |
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-0261073-A2 | Insecticidal and acaricidal alkane and alkoxy alkane derivatives | SCHERING AKTIENGESELLSCHAFT (DE) | 1988-03-23 | — | — | EP | disclosed |
| CN-87105707-A | Desinsection and the alkane and the alkoxy derivatives alkane that kill mite | — | 1988-03-09 | — | — | CN | disclosed |