Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SI | P14410 | 1/20 | 0.31 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL10606016 | 0.76 | CA1 (0.41) | CA1CA2ZDHHC7ALDH1A1CES2 | |
| SCHEMBL3115358 | 0.76 | CA1 (0.41) | CA1CA2ZDHHC7ALDH1A1CES2 | |
| SCHEMBL22169196 | 0.76 | CA1 (0.41) | CA1CA2ZDHHC7ALDH1A1CES2 | |
| SCHEMBL810808 | 0.74 | CA1 (0.39) | CA1CA2ZDHHC7ALDH1A1CES2 | |
| SCHEMBL11031757 | 0.74 | CA1 (0.44) | CA1CA2ZDHHC7ALDH1A1CES2 | |
| SCHEMBL11469818 | 0.74 | CA1 (0.39) | CA1CA2ZDHHC7ALDH1A1CES2 | |
| SCHEMBL1781366 | 0.73 | ALDH1A1 (0.39) | CA1CA2ALDH1A1CES2CES1 | |
| SCHEMBL10605567 | 0.72 | CA1 (0.42) | CA1CA2ZDHHC7ALDH1A1CES2 | |
| SCHEMBL4727242 | 0.72 | CA1 (0.38) | CA1CA2ZDHHC7ALDH1A1CES2 | |
| SCHEMBL27734971 | 0.72 | SMN1; SMN2 (0.50) | CA1CA2ZDHHC7ALDH1A1CES2 |
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-1971611-A1 | ANTI-VIRAL COMPOUNDS | Abbott Laboratories (US) | 2008-09-24 | — | — | EP | disclosed |
| WO-2007081517-A2 | ANTI-VIRAL COMPOUNDS | ABBOTT LABORATORIES (US) | 2007-07-19 | — | — | WO | disclosed |