Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 4/20 | 0.56 |
| ▸ | ADH1B | P00325 | 2/20 | 0.56 |
| ▸ | ADH1C | P00326 | 2/20 | 0.56 |
| ▸ | ADH1A | P07327 | 2/20 | 0.56 |
| ▸ | ADH7 | P40394 | 2/20 | 0.56 |
| ▸ | ADH4 | P08319 | 1/20 | 0.56 |
| ▸ | MGLL | Q99685 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | NAAA | Q02083 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 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 SCHEMBL11786906 | 0.95 | ADH1B (0.55) | EPHX1ADH1BADH1CADH1AADH7 | |
| Benzonitrile SCHEMBL8773388 | 0.87 | SIGMAR1 (0.56) | MGLLTSHRNAAAHSD17B10SIGMAR1 | |
| Benzonitrile SCHEMBL8746686 | 0.87 | SIGMAR1 (0.56) | MGLLTSHRNAAAHSD17B10SIGMAR1 | |
| Benzonitrile SCHEMBL27895198 | 0.81 | TSHR (0.67) | MGLLTSHRHSD17B10ALDH1A1HTT | |
| Benzonitrile SCHEMBL8746681 | 0.80 | TSHR (0.54) | MGLLTSHRHSD17B10SIGMAR1ALDH1A1 | |
| Benzene SCHEMBL17537571 | 0.79 | EPHX1 (0.81) | EPHX1ADH1BADH1CADH1AADH7 | |
| Benzonitrile SCHEMBL28758173 | 0.78 | TSHR (0.52) | MGLLTSHRNAAAHSD17B10ALDH1A1 | |
| Benzoic Acid SCHEMBL986326 | 0.76 | NAAA (0.59) | EPHX1ADH1BADH1CADH1AADH7 | |
| SCHEMBL79600 | 0.75 | EPHX1 (1.00) | EPHX1ADH1BADH1CADH1AADH7 | |
| SCHEMBL303653 | 0.75 | EPHX1 (1.00) | EPHX1ADH1BADH1CADH1AADH7 |
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 |
|---|---|---|---|---|---|---|---|
| US-4207251-A | Catalytic oxidation of formamides to form isocyanates | AKZONA INCORPORATED (US) | 1980-06-10 | — | — | US | disclosed |