Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.61 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.57 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.57 |
| ▸ | PTGES | O14684 | 2/20 | 0.55 |
| ▸ | AURKA | O14965 | 1/20 | 0.55 |
| ▸ | KDR | P35968 | 1/20 | 0.55 |
| ▸ | FLT3 | P36888 | 1/20 | 0.55 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.55 |
| ▸ | CSNK2A2 | P19784 | 2/20 | 0.54 |
| ▸ | CSNK2B | P67870 | 2/20 | 0.54 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.54 |
| ▸ | XDH | P47989 | 2/20 | 0.54 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.54 |
| ▸ | KDM1A | O60341 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | IPMK | Q8NFU5 | 1/20 | 0.54 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.54 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.53 |
| ▸ | APP | P05067 | 3/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL16011311 | 0.87 | ABCB1 (0.66) | PTPN1CYP1A1CYP1B1CSNK2A2CSNK2B | |
| SCHEMBL29873464 | 0.81 | APP (0.64) | PTPN1APPCA12CA1AKR1B1 | |
| SCHEMBL6748778 | 0.81 | APP (0.64) | PTPN1APPCA12CA1AKR1B1 | |
| SCHEMBL29435863 | 0.81 | CSNK2A2 (0.81) | CYP1A1CYP1B1AURKAKDRFLT3 | |
| SCHEMBL26117897 | 0.81 | CSNK2A2 (0.81) | CYP1A1CYP1B1AURKAKDRFLT3 | |
| SCHEMBL20147031 | 0.78 | CALCRL (0.74) | PTPN1CYP1A1CYP1B1CSNK2A2CSNK2B | |
| SCHEMBL7117562 | 0.77 | MAOB (0.66) | PTPN1APPCA12CA1AKR1B1 | |
| SCHEMBL734502 | 0.76 | MAOB (0.65) | PTPN1APPCA12CA1AKR1B1 | |
| SCHEMBL20473173 | 0.76 | MAOB (0.58) | PTPN1HDAC6APPCA12CA1 | |
| SCHEMBL734884 | 0.76 | MAOB (0.65) | PTPN1APPCA12CA1AKR1B1 |
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-2013044371-A1 | PHOTOCHROMIC AND ELECTROCHROMIC DIARYLCYCLOPENTENE DERIVATIVES AS OPTICAL FILTERS | SWITCH MATERIALS, INC. (CA) | 2013-04-04 | — | — | WO | disclosed |