Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.53 |
| ▸ | ALPI | P09923 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | XIAP | P98170 | 1/20 | 0.48 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.48 |
| ▸ | CPA1 | P15085 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | SRR | Q9GZT4 | 2/20 | 0.44 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.44 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.44 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | ACE | P12821 | 1/20 | 0.43 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.43 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3632920 | 0.85 | CYP1A2 (0.55) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL5392948 | 0.82 | SLC6A4 (0.46) | CYP1A2POLBPPARGPPARA | |
| SCHEMBL5386363 | 0.82 | SLC1A1 (0.52) | SLC1A1PPARGPPARA | |
| SCHEMBL15426320 | 0.81 | EPHX1 (0.53) | EPHX1ALPIPKMPTGS1XIAP | |
| SCHEMBL14591098 | 0.81 | EPHX1 (0.53) | EPHX1ALPIPKMPTGS1XIAP | |
| SCHEMBL27503896 | 0.77 | EPHX1 (0.49) | EPHX1ALPIPKMPTGS1XIAP | |
| SCHEMBL28858954 | 0.77 | CTRB1 (0.51) | ALDH1A1POLB | |
| Phenylalanine Amide SCHEMBL3215067 | 0.76 | ALPI (0.61) | EPHX1ALPIPKMPTGS1XIAP | |
| Phenylalanine Amide SCHEMBL3215074 | 0.76 | ALPI (0.61) | EPHX1ALPIPKMPTGS1XIAP | |
| SCHEMBL1877691 | 0.75 | CPA1 (0.49) | EPHX1ALPIPKMPTGS1XIAP |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1377556-A1 | PYRAZOLE DERIVATIVES FOR TREATING HIV | Pfizer Limited (GB) | 2004-01-07 | — | — | EP | claimed |
| WO-2002085860-A1 | PYRAZOLE DERIVATIVES FOR TREATING HIV | PFIZER LIMITED (GB) | 2002-10-31 | — | — | WO | claimed |
| EP-3227263-A1 | CXCR7 RECEPTOR MODULATORS | Actelion Pharmaceuticals Ltd (CH) | 2017-10-11 | — | — | EP | disclosed |
| WO-2016087370-A1 | CXCR7 RECEPTOR MODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2016-06-09 | — | — | WO | disclosed |
| CN-101495458-B | Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors | BAYER IP GMBH | 2014-01-29 | — | — | CN | disclosed |