Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | RORC | P51449 | 1/20 | 0.46 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2638393 | 0.92 | ALDH1A1 (0.46) | ALDH1A1HPGDMEN1KMT2ARORC | |
| SCHEMBL2638619 | 0.91 | ALDH1A1 (0.47) | ALDH1A1HPGDMEN1KMT2ARORC | |
| SCHEMBL2639099 | 0.91 | P2RX7 (0.43) | ALDH1A1HPGDMEN1KMT2ARORC | |
| SCHEMBL2639077 | 0.91 | HPGD (0.47) | ALDH1A1HPGDMEN1KMT2ARORC | |
| SCHEMBL2638870 | 0.90 | LMNA (0.44) | ALDH1A1HPGDMEN1KMT2ARORC | |
| SCHEMBL2638866 | 0.90 | ALDH1A1 (0.47) | ALDH1A1HPGDMEN1KMT2ARORC | |
| SCHEMBL2638409 | 0.90 | MEN1 (0.51) | ALDH1A1MEN1KMT2ARORCP2RX7 | |
| SCHEMBL2638078 | 0.88 | LMNA (0.51) | ALDH1A1HPGDMEN1KMT2ARORC | |
| SCHEMBL2638662 | 0.88 | MAPT (0.43) | ALDH1A1HPGDMEN1KMT2ARORC | |
| SCHEMBL2639439 | 0.88 | RORC (0.48) | ALDH1A1HPGDRORCP2RX7GAA |
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 4 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 |