Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | RORC | P51449 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.41 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CCR6 | P51684 | 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 | |
|---|---|---|---|---|
| SCHEMBL1983301 | 0.92 | ALDH1A1 (0.45) | ALDH1A1RORCSIGMAR1MAPK1L3MBTL1 | |
| SCHEMBL1980509 | 0.88 | RORC (0.40) | ALDH1A1RORCSIGMAR1MAPK1L3MBTL1 | |
| SCHEMBL15879913 | 0.86 | CHRM5 (0.46) | ALDH1A1CHRM5CHRM1CHRM3 | |
| SCHEMBL20582129 | 0.84 | ALDH1A1 (0.49) | ALDH1A1RORCSIGMAR1MAPK1L3MBTL1 | |
| SCHEMBL20400952 | 0.80 | ALDH1A1 (0.45) | ALDH1A1SIGMAR1MAPK1L3MBTL1TDP1 | |
| SCHEMBL19031238 | 0.78 | ALDH1A1 (0.46) | ALDH1A1RORCSIGMAR1MAPK1L3MBTL1 | |
| SCHEMBL3991791 | 0.78 | ALDH1A1 (0.46) | ALDH1A1RORCSIGMAR1MAPK1L3MBTL1 | |
| SCHEMBL2746329 | 0.78 | RORC (0.43) | ALDH1A1RORCSIGMAR1MAPK1L3MBTL1 | |
| SCHEMBL3989535 | 0.77 | SIGMAR1 (0.45) | ALDH1A1RORCSIGMAR1MAPK1L3MBTL1 | |
| SCHEMBL15079557 | 0.76 | ALDH1A1 (0.44) | ALDH1A1RORCSIGMAR1L3MBTL1KMT2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2763990-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-08-13 | — | — | EP | disclosed |
| WO-2013030138-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-03-07 | — | — | WO | disclosed |
| EP-1358198-A4 | NOVEL ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES, SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME | LG LIFE SCIENCES LTD (KR) | 2008-03-05 | — | — | EP | disclosed |
| EP-1715873-A1 | NUCLEOSIDE PHOSPHONATE DERIVATIVES USEFUL IN THE TREATMENT OF HIV INFECTIONS | LG Life Sciences Ltd. (KR) | 2006-11-02 | — | — | EP | disclosed |
| WO-2005079812-A1 | NUCLEOSIDE PHOSPHONATE DERIVATIVES USEFUL IN THE TREATMENT OF HIV INFECTIONS | LG LIFE SCIENCES LTD. (KR) | 2005-09-01 | — | — | WO | disclosed |
| EP-1358198-A1 | NOVEL ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES, SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME | LG Chem Investment, Ltd. (KR) | 2003-11-05 | — | — | EP | disclosed |
| WO-2002057288-A1 | NOVEL ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES, SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME | LG LIFE SCIENCES LTD. (KR) | 2002-07-25 | — | — | WO | disclosed |