Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PTPRC | P08575 | 1/20 | 0.40 |
| ▸ | S100A4 | P26447 | 1/20 | 0.40 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL29559837 | 1.00 | ALDH1A1 (0.54) | ALDH1A1CYP1A2HSD17B10TSHRTDP1 | |
| SCHEMBL3759513 | 0.84 | ALDH1A1 (0.53) | ALDH1A1CYP1A2HSD17B10TSHRTDP1 | |
| SCHEMBL19514756 | 0.82 | ALDH1A1 (0.55) | ALDH1A1CYP1A2HSD17B10TSHRTDP1 | |
| SCHEMBL16284318 | 0.80 | ALDH1A1 (0.56) | ALDH1A1CYP1A2HSD17B10TSHRTDP1 | |
| SCHEMBL30800630 | 0.80 | ALDH1A1 (0.56) | ALDH1A1CYP1A2HSD17B10TSHRTDP1 | |
| SCHEMBL16687493 | 0.80 | ALDH1A1 (0.56) | ALDH1A1CYP1A2HSD17B10TSHRTDP1 | |
| SCHEMBL254406 | 0.80 | ALDH1A1 (0.56) | ALDH1A1CYP1A2HSD17B10TSHRTDP1 | |
| SCHEMBL14571378 | 0.80 | ALDH1A1 (0.53) | ALDH1A1CYP1A2HSD17B10TSHRTDP1 | |
| SCHEMBL3327700 | 0.79 | CYP1A2 (0.56) | ALDH1A1CYP1A2HSD17B10TSHRTDP1 | |
| SCHEMBL11022824 | 0.78 | ALDH1A1 (0.48) | ALDH1A1CYP1A2HSD17B10TSHRTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021011722-A1 | MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2021-01-21 | — | — | WO | disclosed |