Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL3278091 | 0.81 | HCAR2 (0.39) | CA12CA2CA9TSHRMAPK1 | |
| SCHEMBL28831593 | 0.81 | HCAR2 (0.39) | CA12CA2CA9TSHRMAPK1 | |
| SCHEMBL9308560 | 0.80 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL8640466 | 0.80 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL28831576 | 0.74 | HCAR2 (0.50) | CA12CA2CA9ALDH1A1 | |
| SCHEMBL5443165 | 0.70 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL5443169 | 0.70 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL3278419 | 0.68 | HCAR2 (0.42) | CA12CA9ALDH1A1 | |
| SCHEMBL21128055 | 0.66 | ATM (0.46) | TSHRALDH1A1HPGD | |
| SCHEMBL951880 | 0.66 | — | — |
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-0679625-A2 | Process for the preparation of 2,3,6-trimethylphenol | BASF AKTIENGESELLSCHAFT (DE) | 1995-11-02 | — | — | EP | disclosed |