Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 14/20 | 0.43 |
| ▸ | CA2 | P00918 | 14/20 | 0.43 |
| ▸ | CA12 | O43570 | 10/20 | 0.43 |
| ▸ | CA9 | Q16790 | 10/20 | 0.43 |
| ▸ | CA5A | P35218 | 3/20 | 0.40 |
| ▸ | CA7 | P43166 | 3/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.40 |
| ▸ | RORC | P51449 | 4/20 | 0.40 |
| ▸ | CTSD | P07339 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2638730 | 0.93 | CA1 (0.52) | CA1CA2CA12CA9CA5A | |
| SCHEMBL2638977 | 0.91 | CA1 (0.47) | CA1CA2CA12CA9CA5A | |
| SCHEMBL13492131 | 0.90 | CTSD (0.45) | CA1CA2CA12CA9CA5A | |
| SCHEMBL2638989 | 0.89 | CA1 (0.48) | CA1CA2CA12CA9CA5A | |
| SCHEMBL2638904 | 0.86 | CA1 (0.46) | CA1CA2CA12CA9CA5A | |
| SCHEMBL2638984 | 0.83 | CA1 (0.42) | CA1CA2CA12CA9CA5A | |
| SCHEMBL2638680 | 0.83 | CA1 (0.52) | CA1CA2CA12CA9CA5A | |
| SCHEMBL2639288 | 0.81 | ALDH1A1 (0.44) | RORC | |
| SCHEMBL2639182 | 0.81 | CA1 (0.48) | CA1CA2CA12CA9CA5A | |
| SCHEMBL2639374 | 0.80 | CA1 (0.49) | CA1CA2CA12CA9CA5A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4810529-B2 | — | — | 2011-11-09 | — | — | JP | claimed |
| EP-1742908-B1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2009-11-11 | — | — | EP | claimed |
| EP-1742908-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-01-17 | — | — | EP | claimed |
| WO-2005102989-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-11-03 | — | — | WO | claimed |
| EP-1742908-B1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2009-11-11 | — | — | EP | disclosed |