Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28178153 | 0.83 | CYP1A2 (0.52) | CYP1A2LMNAHSD17B10 | |
| SCHEMBL11332900 | 0.77 | TSHR (0.55) | GRM4LMNAHSD17B10MAPT | |
| SCHEMBL3960043 | 0.76 | GRM4 (0.37) | GRM4 | |
| SCHEMBL6242798 | 0.75 | CYP1A2 (0.44) | CYP1A2LMNAADRA2AADRA1AHTR2C | |
| SCHEMBL30608971 | 0.75 | CYP1A2 (0.39) | CYP1A2HTR2C | |
| SCHEMBL20131329 | 0.75 | ADRA2A (0.34) | GRM4ADRA2AADRA1AHTR2CMAPT | |
| Hydrochloric Acid SCHEMBL31301903 | 0.74 | STING1 (0.36) | GRM4 | |
| SCHEMBL27624025 | 0.74 | CYP1A2 (0.38) | CYP1A2LMNAADRA2AADRA1AHTR2C | |
| SCHEMBL30608969 | 0.74 | CYP1A2 (0.42) | CYP1A2HTR2CMAPT | |
| SCHEMBL1149299 | 0.72 | — | — |
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-0271679-A2 | Isocyanates derived from dienes and process and their preparation | AMERICAN CYANAMID COMPANY (US) | 1988-06-22 | — | — | EP | claimed |
| EP-0271679-A2 | Isocyanates derived from dienes and process and their preparation | AMERICAN CYANAMID COMPANY (US) | 1988-06-22 | — | — | EP | disclosed |