Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | DNM1 | Q05193 | 8/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Benzonitrile SCHEMBL27895198 | 0.90 | TSHR (0.67) | TSHRHSD17B10ALDH1A1CYP2A6MAOA | |
| Benzonitrile SCHEMBL27368685 | 0.81 | TSHR (0.54) | TSHRHSD17B10ALDH1A1CYP2A6MAOA | |
| Benzonitrile SCHEMBL6393592 | 0.81 | TSHR (0.54) | TSHRHSD17B10CYP2A6MAOA | |
| Benzonitrile SCHEMBL28758173 | 0.79 | TSHR (0.52) | TSHRHSD17B10ALDH1A1CYP2A6 | |
| Benzonitrile SCHEMBL28327387 | 0.79 | TSHR (0.52) | TSHRHSD17B10MEN1ALDH1A1CYP2A6 | |
| Benzonitrile SCHEMBL28397521 | 0.79 | TSHR (0.78) | TSHRHSD17B10ALDH1A1KIF11CYP2A6 | |
| Benzonitrile SCHEMBL8773388 | 0.78 | SIGMAR1 (0.56) | TSHRHSD17B10ALDH1A1 | |
| Benzonitrile SCHEMBL8746686 | 0.78 | SIGMAR1 (0.56) | TSHRHSD17B10ALDH1A1 | |
| Biphenyl SCHEMBL27707154 | 0.77 | DNM1 (0.55) | TSHRDNM1MEN1KMT2AALDH1A1 | |
| Heptane SCHEMBL28237643 | 0.77 | TSHR (0.69) | TSHRHSD17B10ALDH1A1KIF11CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109982999-A | The imidazolyl methyl-derivatives that new 5- replaces | 拜耳作物科学股份公司 | 2019-07-05 | — | — | CN | disclosed |