Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 8/20 | 0.48 |
| ▸ | CA2 | P00918 | 8/20 | 0.48 |
| ▸ | CA12 | O43570 | 7/20 | 0.48 |
| ▸ | CA9 | Q16790 | 6/20 | 0.48 |
| ▸ | P2RX4 | Q99571 | 6/20 | 0.45 |
| ▸ | CA5A | P35218 | 3/20 | 0.43 |
| ▸ | CA7 | P43166 | 3/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.43 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2638930 | 0.90 | CA1 (0.45) | CA1CA2CA12CA9P2RX4 | |
| SCHEMBL2638800 | 0.89 | CA1 (0.53) | CA1CA2CA12CA9CA5A | |
| SCHEMBL2638407 | 0.87 | CA1 (0.53) | CA1CA2CA12CA9P2RX4 | |
| SCHEMBL2638824 | 0.87 | CA1 (0.51) | CA1CA2CA12CA9P2RX4 | |
| SCHEMBL4602268 | 0.86 | CA1 (0.53) | CA1CA2CA12CA9P2RX4 | |
| SCHEMBL2638397 | 0.86 | CA1 (0.51) | CA1CA2CA12CA9P2RX4 | |
| SCHEMBL2639938 | 0.86 | CA1 (0.53) | CA1CA2CA12CA9P2RX4 | |
| SCHEMBL2639061 | 0.86 | CA1 (0.57) | CA1CA2CA12CA9CA5A | |
| SCHEMBL4604854 | 0.85 | P2RX4 (0.47) | CA1CA2CA12CA9P2RX4 | |
| SCHEMBL4604671 | 0.85 | CA1 (0.53) | CA1CA2CA12CA9P2RX4 |
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 |