Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN5 | P54829 | 2/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.37 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 2/20 | 0.35 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.34 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.34 |
| ▸ | PTGFR | P43088 | 1/20 | 0.34 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.34 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.34 |
| ▸ | PTGIR | P43119 | 1/20 | 0.34 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7570886 | 0.95 | PSD (0.37) | PTPN5S1PR1S1PR5PGRRNASEH1 | |
| SCHEMBL7570905 | 0.90 | CYP26A1 (0.35) | PTPN5CYP26A1ESR2HDAC3HDAC6 | |
| SCHEMBL7571248 | 0.88 | HDAC3 (0.41) | CYP26A1HDAC3HDAC6HTT | |
| SCHEMBL7572646 | 0.85 | BDKRB2 (0.41) | CYP26A1HDAC3HDAC6HTT | |
| SCHEMBL7576399 | 0.85 | CNR2 (0.35) | HDAC3HDAC6NPC1RAB9A | |
| SCHEMBL7575515 | 0.85 | ESR1 (0.37) | CYP26A1ESR2HDAC3HDAC6MEN1 | |
| SCHEMBL7572458 | 0.82 | BDKRB2 (0.42) | HDAC3HDAC6 | |
| SCHEMBL7572631 | 0.82 | CES2 (0.42) | PTPN5CYP26A1HDAC3HDAC6CCKBR | |
| SCHEMBL7572718 | 0.82 | CES2 (0.43) | HDAC3HDAC6MEN1KMT2A | |
| SCHEMBL7570328 | 0.79 | CES2 (0.45) | HDAC3HDAC6HTTCCKBR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002085369-A1 | INHIBITORS OF ANTHRAX LETHAL FACTOR ACTIVITY | STRUCTURAL BIOINFORMATICS, INC. (US) | 2002-10-31 | — | — | WO | disclosed |