Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 19/20 | 0.56 |
| ▸ | CA2 | P00918 | 19/20 | 0.56 |
| ▸ | CA9 | Q16790 | 11/20 | 0.56 |
| ▸ | CA12 | O43570 | 8/20 | 0.56 |
| ▸ | CA5A | P35218 | 2/20 | 0.53 |
| ▸ | CA7 | P43166 | 2/20 | 0.53 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2639374 | 0.95 | CA1 (0.49) | CA1CA2CA9CA12CA5A | |
| SCHEMBL2639159 | 0.89 | CA2 (0.51) | CA1CA2CA9CA12CA5A | |
| SCHEMBL2638748 | 0.86 | CA1 (0.59) | CA1CA2CA9CA12CA5A | |
| SCHEMBL2640006 | 0.84 | CA1 (0.59) | CA1CA2CA9CA12CA5A | |
| SCHEMBL2639951 | 0.84 | HPGD (0.47) | MEN1KMT2A | |
| SCHEMBL4604218 | 0.84 | CA1 (0.56) | CA1CA2CA9CA12CA5A | |
| SCHEMBL4604831 | 0.84 | CA1 (0.58) | CA1CA2CA9CA12CA5A | |
| SCHEMBL4603630 | 0.84 | CA1 (0.58) | CA1CA2CA9CA12CA5A | |
| SCHEMBL2639677 | 0.84 | CA1 (0.56) | CA1CA2CA9CA12CA5A | |
| SCHEMBL4604206 | 0.83 | CA1 (0.55) | CA1CA2CA9CA12CA5A |
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 |