Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | DRD3 | P35462 | 3/20 | 0.51 |
| ▸ | DRD2 | P14416 | 2/20 | 0.51 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.51 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.51 |
| ▸ | DRD1 | P21728 | 2/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | DRD5 | P21918 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 2/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Benzyl Bromide SCHEMBL457700 | 0.87 | TRPA1 (0.58) | TRPA1ALDH1A1TSHRDRD3DRD2 | |
| Benzyl Bromide SCHEMBL9637153 | 0.84 | KCNH2 (0.64) | TRPA1ALDH1A1TSHRDRD3DRD2 | |
| SCHEMBL552965 | 0.82 | DRD3 (0.71) | DRD3DRD2OPRM1OPRD1OPRK1 | |
| Benzyl Bromide SCHEMBL876161 | 0.81 | TSHR (0.70) | TRPA1ALDH1A1TSHRDRD3OPRM1 | |
| Benzyl Bromide SCHEMBL438870 | 0.80 | TSHR (0.78) | TRPA1ALDH1A1TSHRDRD3OPRM1 | |
| Hydrochloric Acid SCHEMBL28327056 | 0.80 | DRD3 (0.69) | DRD3DRD2OPRM1OPRD1OPRK1 | |
| (Chloromethyl)Benzene SCHEMBL7216279 | 0.80 | DRD3 (0.50) | DRD3DRD2OPRM1OPRD1OPRK1 | |
| Benzyl Bromide SCHEMBL5757393 | 0.80 | TSHR (1.00) | TRPA1ALDH1A1TSHRTP53 | |
| Benzyl Bromide SCHEMBL1331189 | 0.80 | — | — | |
| Benzyl Bromide SCHEMBL1066 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101463221-A | Dual cure formulations with components comprising uretdione groups | EVONIK DEGUSSA GMBH (DE) | 2009-06-24 | — | — | CN | claimed |
| CN-101463221-A | Dual cure formulations with components comprising uretdione groups | EVONIK DEGUSSA GMBH (DE) | 2009-06-24 | — | — | CN | disclosed |