Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8959902 | 0.78 | TAAR1 (0.49) | TP53ESR1ALDH1A1GLATSHR | |
| SCHEMBL27616536 | 0.76 | NR1H2 (0.44) | TP53TRPM8ALDH1A1GLATSHR | |
| SCHEMBL20150135 | 0.76 | TP53 (0.39) | TP53ESR1ALDH1A1GLATSHR | |
| SCHEMBL3954588 | 0.74 | TAAR1 (0.39) | TP53ESR1ALDH1A1GLATSHR | |
| SCHEMBL25684761 | 0.74 | TAAR1 (0.39) | TP53ESR1ALDH1A1GLATSHR | |
| SCHEMBL10473424 | 0.74 | TAAR1 (0.39) | TP53ESR1ALDH1A1GLATSHR | |
| SCHEMBL3956329 | 0.74 | TAAR1 (0.39) | TP53ESR1ALDH1A1GLATSHR | |
| SCHEMBL9632869 | 0.74 | TP53 (0.46) | TP53TRPM8ESR1ALDH1A1GLA | |
| SCHEMBL11679197 | 0.74 | SLC6A4 (0.37) | TP53TRPM8TAAR1L3MBTL1 | |
| SCHEMBL9632865 | 0.74 | TP53 (0.46) | TP53TRPM8ESR1ALDH1A1GLA |
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-4256741-A | INSECTICIDES, MITICIDES, APHIDICIDES | VELSICOL CHEMICAL CORPORATION (US) | 1981-03-17 | — | — | US | disclosed |
| US-4226859-A | INSECTICIDES | VELSICOL CHEMICAL CORPORATION (US) | 1980-10-07 | — | — | US | disclosed |