Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 5/20 | 0.34 |
| ▸ | CA2 | P00918 | 5/20 | 0.34 |
| ▸ | CA4 | P22748 | 5/20 | 0.34 |
| ▸ | CA6 | P23280 | 4/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9845916 | 0.72 | MMP1 (0.35) | PPARD | |
| SCHEMBL9845917 | 0.72 | MMP1 (0.35) | PPARD | |
| SCHEMBL13051347 | 0.71 | ADRA2A (0.35) | TSHRPPARDCA1CA2CA4 | |
| SCHEMBL2689519 | 0.71 | — | — | |
| SCHEMBL15198303 | 0.71 | — | — | |
| SCHEMBL21006006 | 0.71 | — | — | |
| SCHEMBL28283616 | 0.70 | NPC1 (0.41) | CA1CA2CA4CA6NPC1 | |
| SCHEMBL21925055 | 0.69 | TSHR (0.50) | TSHRPPARDKMT2AGAA | |
| SCHEMBL21128889 | 0.68 | TSHR (0.36) | TSHRPPARD | |
| SCHEMBL2691566 | 0.67 | — | — |
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-0453841-A2 | Process for the preparation of esters of 1-alcoxyhexatriene-2-carboxylic acid | BAYER AG (DE) | 1991-10-30 | — | — | EP | disclosed |