Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.30 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.30 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11354741 | 0.76 | ALOX15 (0.53) | NPC1 | |
| SCHEMBL2413467 | 0.75 | MAPT (0.45) | — | |
| Trifluoroacetic Acid SCHEMBL6993373 | 0.75 | ALOX15 (0.42) | TSHR | |
| SCHEMBL6990825 | 0.74 | KMT2A (0.34) | TDP1NPC1TSHRRXRAGRIN1 | |
| SCHEMBL6496575 | 0.71 | ALDH1A1 (0.41) | NPC1TSHR | |
| SCHEMBL16756469 | 0.71 | SMARCA2 (0.37) | — | |
| SCHEMBL315714 | 0.69 | KDM4E (0.50) | TSHR | |
| SCHEMBL1280673 | 0.69 | ALOX15 (0.52) | TDP1 | |
| SCHEMBL5859013 | 0.67 | MAPT (0.49) | TDP1 | |
| SCHEMBL4658964 | 0.67 | CES1 (0.47) | TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-1476436-A | Novel compounds for use as HIV protease inhibitors | - | 2004-02-18 | — | — | CN | disclosed |
| EP-1339692-A1 | NOVEL COMPOUNDS FOR USE AS HIV PROTEASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2003-09-03 | — | — | EP | disclosed |
| US-6472404-B1 | HIV protease inhibitors | HOFFMANN-LA ROCHE INC. | 2002-10-29 | — | — | US | disclosed |
| WO-2002042277-A1 | NOVEL COMPOUNDS FOR USE AS HIV PROTEASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-05-30 | — | — | WO | disclosed |