Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.36 |
| ▸ | CA6 | P23280 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 5/20 | 0.35 |
| ▸ | CMA1 | P23946 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | PTGES2 | Q9H7Z7 | 4/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13280775 | 0.83 | GAA (0.36) | CA2CA1KDM1ABACE1CMA1 | |
| SCHEMBL15709682 | 0.78 | SIRT2 (0.36) | CA2CA1ALDH1A1POLBCMA1 | |
| SCHEMBL31735982 | 0.75 | CA2 (0.45) | CA2CA1CA12CA9CA4 | |
| SCHEMBL18590932 | 0.75 | CA2 (0.45) | CA2CA1CA12CA9CA4 | |
| SCHEMBL13393948 | 0.74 | ALOX15 (0.46) | ALDH1A1POLBTSHRKDM1ACMA1 | |
| SCHEMBL13280499 | 0.74 | KDM1A (0.41) | KDM1ABACE1CMA1AHRBACE2 | |
| SCHEMBL16905433 | 0.74 | KDM1A (0.39) | KDM1ABACE1CMA1AHRBACE2 | |
| SCHEMBL3351008 | 0.71 | PDIA6 (0.51) | CA2CA1CA12CA9CA4 | |
| SCHEMBL30200838 | 0.71 | PDIA6 (0.51) | CA2CA1CA12CA9CA4 | |
| SCHEMBL21177711 | 0.69 | ALDH1A1 (0.37) | ALDH1A1KDM1ABACE1CMA1AHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2964635-A1 | ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2016-01-13 | — | — | EP | disclosed |
| WO-2014135495-A1 | ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-09-12 | — | — | WO | disclosed |