Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 8/20 | 0.65 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.47 |
| ▸ | FDPS | P14324 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.46 |
| ▸ | HSP90AB1 | P08238 | 4/20 | 0.46 |
| ▸ | HPRT1 | P00492 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6902140 | 1.00 | CYP3A4 (0.65) | CYP3A4HDAC1HDAC6HDAC4CYP2D6 | |
| SCHEMBL30515122 | 0.90 | CYP3A4 (0.73) | CYP3A4CYP2D6 | |
| SCHEMBL4312545 | 0.90 | CYP3A4 (0.73) | CYP3A4CYP2D6 | |
| SCHEMBL173030 | 0.90 | CYP3A4 (0.73) | CYP3A4CYP2D6 | |
| SCHEMBL1032335 | 0.90 | CYP3A4 (0.73) | CYP3A4CYP2D6 | |
| SCHEMBL7262136 | 0.88 | CYP3A4 (0.64) | CYP3A4CYP2D6HPRT1 | |
| SCHEMBL9177152 | 0.88 | CYP3A4 (0.64) | CYP3A4CYP2D6HSP90AA1HSP90AB1HPRT1 | |
| SCHEMBL9177212 | 0.88 | CYP3A4 (0.64) | CYP3A4CYP2D6HSP90AA1HSP90AB1HPRT1 | |
| SCHEMBL9176435 | 0.87 | CYP3A4 (0.49) | CYP3A4HDAC1HDAC6HDAC4HSP90AA1 | |
| SCHEMBL9177023 | 0.87 | CYP3A4 (0.49) | CYP3A4HDAC1HDAC6HDAC4HSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-3561272-B2 | — | — | 2004-09-02 | — | — | JP | claimed |
| EP-0654037-B1 | ANTIRETROVIRAL ENANTIOMERIC NUCLEOTIDE ANALOGS | ACAD OF SCIENCE CZECH REPUBLIC (CZ) | 1999-05-12 | — | — | EP | claimed |
| EP-0654037-A1 | ANTIRETROVIRAL ENANTIOMERIC NUCLEOTIDE ANALOGS | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) | 1995-05-24 | — | — | EP | claimed |
| WO-1994003467-A2 | ANTIRETROVIRAL ENANTIOMERIC NUCLEOTIDE ANALOGS | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) | 1994-02-17 | — | — | WO | claimed |
| US-6479673-B1 | Antiretroviral enantiomeric nucleotide analogs | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) | 2002-11-12 | — | — | US | disclosed |