Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | F2 | P00734 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL5210534 | 0.82 | GRM5 (0.35) | — | |
| SCHEMBL5211738 | 0.79 | POLB (0.33) | — | |
| SCHEMBL5209007 | 0.78 | MRGPRX4 (0.35) | MEN1KMT2ANPSR1 | |
| SCHEMBL5209455 | 0.77 | CYP1A2 (0.31) | — | |
| SCHEMBL5207795 | 0.75 | ADCY10 (0.36) | KDM4EALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL5214219 | 0.73 | FPR1 (0.39) | ALDH1A1LMNAMEN1KMT2AMAPT | |
| SCHEMBL5211288 | 0.73 | FLT1 (0.35) | ALDH1A1 | |
| SCHEMBL5211312 | 0.72 | — | — | |
| SCHEMBL5208599 | 0.71 | CACNA1H (0.32) | — | |
| SCHEMBL5645734 | 0.71 | AR (0.39) | TSHRMAPTNPC1RAB9A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1401826-B1 | PYRAZOLE DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | claimed |
| EP-1401826-A1 | PYRAZOLE DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-03-31 | — | — | EP | claimed |
| US-6538015-B1 | Process for their manufacture, pharmaceutical compositions and the use of such compounds in medicine. In particular, the compounds of formula I are inhibitors of the human immunodeficiency virus reverse transcriptase enzyme which is | HOFFMANN-LA ROCHE INC. | 2003-03-25 | — | — | US | claimed |
| WO-2002100853-A1 | PYRAZOLE DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-12-19 | — | — | WO | claimed |
| EP-1401826-B1 | PYRAZOLE DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | disclosed |
| US-6538015-B1 | Process for their manufacture, pharmaceutical compositions and the use of such compounds in medicine. In particular, the compounds of formula I are inhibitors of the human immunodeficiency virus reverse transcriptase enzyme which is | HOFFMANN-LA ROCHE INC. | 2003-03-25 | — | — | US | disclosed |