Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 11/20 | 0.70 |
| ▸ | CA2 | P00918 | 11/20 | 0.70 |
| ▸ | CA12 | O43570 | 9/20 | 0.70 |
| ▸ | CA9 | Q16790 | 9/20 | 0.70 |
| ▸ | POLB | P06746 | 2/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | LMNA | P02545 | 1/20 | 0.65 |
| ▸ | RORC | P51449 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | CA5A | P35218 | 2/20 | 0.55 |
| ▸ | CA7 | P43166 | 2/20 | 0.55 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2639806 | 0.87 | CA1 (0.75) | CA1CA2CA12CA9MEN1 | |
| SCHEMBL13581454 | 0.84 | CA1 (0.70) | CA1CA2CA12CA9POLB | |
| SCHEMBL2639453 | 0.84 | CA1 (0.61) | CA1CA2CA12CA9POLB | |
| SCHEMBL2638672 | 0.83 | MEN1 (0.53) | POLBALDH1A1LMNARORCMEN1 | |
| SCHEMBL2638691 | 0.79 | CA1 (0.61) | CA1CA2CA12CA9POLB | |
| SCHEMBL2638624 | 0.79 | CA1 (0.61) | CA1CA2CA12CA9POLB | |
| SCHEMBL2640024 | 0.77 | CA1 (0.59) | CA1CA2CA12CA9POLB | |
| SCHEMBL4603317 | 0.77 | CA1 (0.61) | CA1CA2CA12CA9POLB | |
| SCHEMBL27672885 | 0.76 | CA1 (0.58) | CA1CA2CA12CA9POLB | |
| SCHEMBL2639827 | 0.75 | ALDH1A1 (0.58) | POLBALDH1A1LMNAMEN1KMT2A |
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 |