Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 1/20 | 0.58 |
| ▸ | LTA4H | P09960 | 2/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Anisole SCHEMBL27428553 | 0.89 | CA4 (0.74) | CA4LTA4HTRPA1ALDH1A1TSHR | |
| Anisole SCHEMBL28273747 | 0.89 | CA4 (0.74) | CA4LTA4HTRPA1ALDH1A1RECQL | |
| Anisole SCHEMBL28157536 | 0.89 | CA4 (0.74) | CA4LTA4HTRPA1ALDH1A1RECQL | |
| Anisole SCHEMBL213737 | 0.89 | CA4 (0.74) | CA4LTA4HTRPA1ALDH1A1RECQL | |
| Anisole SCHEMBL28279032 | 0.87 | CA4 (0.70) | CA4LTA4HTRPA1ALDH1A1CYP3A4 | |
| Anisole SCHEMBL6722805 | 0.86 | CA4 (0.47) | CA4LTA4HTRPA1ALDH1A1TSHR | |
| Diphenylether SCHEMBL5275954 | 0.85 | LTA4H (0.52) | LTA4HALDH1A1TSHRSMN1; SMN2RECQL | |
| Diphenylether SCHEMBL896406 | 0.85 | LTA4H (0.52) | LTA4HALDH1A1TSHRSMN1; SMN2RECQL | |
| Diphenylether SCHEMBL1001110 | 0.85 | LTA4H (0.52) | LTA4HALDH1A1TSHRSMN1; SMN2RECQL | |
| Anisole SCHEMBL27572996 | 0.82 | CA4 (0.78) | CA4LTA4HTRPA1ALDH1A1RECQL |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1782877-A | Anti-corrosion agent composition | DAICEL CHEM (JP) | 2006-06-07 | — | — | CN | disclosed |
| EP-0735403-B1 | Liquid crystal orienting agent | JSR CORP (JP) | 2004-03-17 | — | — | EP | disclosed |
| US-5700860-A | Liquid crystal orienting agent | JAPAN SYNTHETIC RUBBER CO., LTD. (JP) | 1997-12-23 | — | — | US | disclosed |
| EP-0735403-A1 | Liquid crystal orienting agent | JAPAN SYNTHETIC RUBBER CO., LTD. (JP) | 1996-10-02 | — | — | EP | disclosed |