Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.70 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.59 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.59 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | TYR | P14679 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ATP2A2 | P16615 | 1/20 | 0.37 |
| ▸ | ATP2A3 | Q93084 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL38598 | 0.83 | CA2 (1.00) | CA2GABRA1GABRB2ALOX12ALDH1A1 | |
| SCHEMBL28578522 | 0.80 | CA2 (0.94) | CA2GABRA1GABRB2ALOX12ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28473948 | 0.80 | CA2 (0.94) | CA2GABRA1GABRB2ALOX12ALDH1A1 | |
| SCHEMBL30027561 | 0.80 | CA2 (0.94) | CA2GABRA1GABRB2ALOX12ALDH1A1 | |
| SCHEMBL28361779 | 0.80 | CA2 (0.94) | CA2GABRA1GABRB2ALOX12ALDH1A1 | |
| SCHEMBL31622310 | 0.80 | CA2 (0.94) | CA2GABRA1GABRB2ALOX12ALDH1A1 | |
| SCHEMBL29189109 | 0.80 | CA2 (0.94) | CA2GABRA1GABRB2ALOX12ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7076174 | 0.80 | CA2 (0.94) | CA2GABRA1GABRB2ALOX12ALDH1A1 | |
| SCHEMBL22444875 | 0.80 | CA2 (0.94) | CA2GABRA1GABRB2ALOX12ALDH1A1 | |
| SCHEMBL29614734 | 0.80 | CA2 (0.94) | CA2GABRA1GABRB2ALOX12ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017070568-A1 | IMPROVED SYNTHESIS OF HONOKIOL | COLGATE-PALMOLIVE COMPANY (US) | 2017-04-27 | — | — | WO | disclosed |
| EP-2432554-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-03-28 | — | — | EP | disclosed |
| WO-2010133528-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-11-25 | — | — | WO | disclosed |
| CN-101743294-A | Synergistic mixture | BASF SE | 2010-06-16 | — | — | CN | disclosed |