Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FPR1 | P21462 | 5/20 | 0.39 |
| ▸ | FPR2 | P25090 | 3/20 | 0.39 |
| ▸ | IDH1 | O75874 | 1/20 | 0.37 |
| ▸ | ADCY10 | Q96PN6 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.36 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CDK4 | P11802 | 1/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.36 |
| ▸ | CCND1 | P24385 | 1/20 | 0.36 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5240819 | 0.88 | MEN1 (0.41) | FPR1FPR2IDH1ADCY10PPARG | |
| SCHEMBL5240809 | 0.87 | ADCY10 (0.39) | FPR1FPR2IDH1ADCY10PPARG | |
| SCHEMBL5211738 | 0.81 | POLB (0.33) | POLB | |
| SCHEMBL5209455 | 0.79 | CYP1A2 (0.31) | POLB | |
| SCHEMBL5208321 | 0.78 | PDE4D (0.36) | MEN1KMT2APOLBMAPTALDH1A1 | |
| SCHEMBL14564994 | 0.77 | FLT1 (0.33) | CCNB2CCNE2CDK1CDK4CCNB1 | |
| SCHEMBL5207787 | 0.77 | FLT1 (0.33) | — | |
| SCHEMBL5209007 | 0.76 | MRGPRX4 (0.35) | MEN1KMT2AADRA1D | |
| SCHEMBL5210534 | 0.75 | GRM5 (0.35) | — | |
| SCHEMBL5210120 | 0.74 | CNR1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |