Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.65 |
| ▸ | CA2 | P00918 | 3/20 | 0.65 |
| ▸ | CA7 | P43166 | 2/20 | 0.65 |
| ▸ | CA9 | Q16790 | 2/20 | 0.65 |
| ▸ | CA12 | O43570 | 1/20 | 0.65 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.55 |
| ▸ | GAA | P10253 | 3/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | RECQL | P46063 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| 1,4-Dimethoxybenzene SCHEMBL21802643 | 0.80 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| 1,4-Dimethoxybenzene SCHEMBL8489 | 0.80 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| SCHEMBL8103812 | 0.80 | CA1 (0.61) | CA1CA2CA7CA9CA12 | |
| SCHEMBL11384402 | 0.74 | CA1 (0.52) | CA1CA2CA7CA9CA12 | |
| 1,4-Dimethoxybenzene SCHEMBL11373286 | 0.74 | CA1 (0.85) | CA1CA2CA7CA9CA12 | |
| SCHEMBL433779 | 0.73 | CA1 (0.69) | CA1CA2CA7CA9CA12 | |
| SCHEMBL83811 | 0.71 | CA1 (0.79) | CA1CA2CA7CA9CA12 | |
| 1,4-Dimethoxybenzene SCHEMBL11661546 | 0.71 | CA1 (0.79) | CA1CA2CA7CA9CA12 | |
| SCHEMBL7534896 | 0.71 | CA1 (0.79) | CA1CA2CA7CA9CA12 | |
| SCHEMBL197522 | 0.71 | CA1 (0.79) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2020119595-A1 | PHENOL SALT AND APPLICATION THEREOF | 中国科学院上海有机化学研究所 | 2020-06-18 | — | — | WO | disclosed |