Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | CA7 | P43166 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31145742 | 0.80 | CA1 (0.55) | CA1CA2CA7CA9CA12 | |
| SCHEMBL809133 | 0.80 | CA1 (0.55) | CA1CA2CA7CA9CA12 | |
| SCHEMBL7105911 | 0.79 | CA1 (0.42) | CA1CA2CA7CA9CA12 | |
| Bromide SCHEMBL29185181 | 0.78 | CA1 (0.52) | CA1CA2CA7CA9CA12 | |
| Hydrochloric Acid SCHEMBL15104848 | 0.77 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL146841 | 0.77 | CA1 (0.61) | CA1CA2CA7CA9CA12 | |
| SCHEMBL7793178 | 0.73 | MAPT (0.69) | MAPTL3MBTL1GAASMN1; SMN2HTT | |
| SCHEMBL1314594 | 0.73 | TRPA1 (0.42) | CA1CA2CA7CA9ALDH1A1 | |
| SCHEMBL7483367 | 0.71 | ALDH1A1 (0.48) | ALDH1A1MAPTMEN1KMT2AHPGD | |
| SCHEMBL844007 | 0.71 | ALDH1A1 (0.48) | 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-1044980-A1 | PROCESS FOR PRODUCING TOLUENE DERIVATIVES | Ihara Chemical Industry Co., Ltd. (JP) | 2000-10-18 | — | — | EP | disclosed |