Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.56 |
| ▸ | CA2 | P00918 | 3/20 | 0.56 |
| ▸ | CA7 | P43166 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA4 | P22748 | 1/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.56 |
| ▸ | ACHE | P22303 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | PPARD | Q03181 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 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 | |
|---|---|---|---|---|
| 1-Allyloxy-2-Methoxybenzene SCHEMBL30083991 | 0.85 | CA12 (0.54) | CA1CA2CA7CA9CA12 | |
| 1-Allyloxy-2-Methoxybenzene SCHEMBL73345 | 0.85 | CA12 (0.54) | CA1CA2CA7CA9CA12 | |
| SCHEMBL16949972 | 0.83 | IDO1 (0.55) | CA1CA2CA7CA9CA12 | |
| SCHEMBL2453030 | 0.82 | NFE2L2 (0.49) | ALDH1A1KMT2ATSHRPTGS1SMN1; SMN2 | |
| SCHEMBL2453028 | 0.82 | NFE2L2 (0.49) | ALDH1A1KMT2ATSHRPTGS1SMN1; SMN2 | |
| O-Xylene SCHEMBL2065413 | 0.77 | TSHR (0.48) | ACHEALDH1A1MAPK1HTTKMT2A | |
| Naphthalene SCHEMBL8370666 | 0.77 | CYP3A4 (0.43) | ACHEALDH1A1MAPK1KMT2ATSHR | |
| SCHEMBL6663936 | 0.76 | HTR7 (0.53) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL27567930 | 0.75 | CA1 (0.87) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL29351917 | 0.75 | CA1 (1.00) | CA1CA2CA7CA9CA12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0162263-A1 | Process for the production of acetic acid from synthesis gas | QUANTUM CHEMICAL CORPORATION (a Virginia corp.) (US) | 1985-11-27 | — | — | EP | disclosed |