Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SYK | P43405 | 4/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.42 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.42 |
| ▸ | TSPO | P30536 | 2/20 | 0.41 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | FNTA | P49354 | 1/20 | 0.35 |
| ▸ | FNTB | P49356 | 1/20 | 0.35 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19475019 | 0.88 | POLB (0.44) | SYKAURKBINCENPLMNAHTT | |
| SCHEMBL27718450 | 0.78 | KCNA5 (0.47) | TSPOLTB4R2KDM4ECYP1A2ALDH1A1 | |
| SCHEMBL28272598 | 0.74 | TRPM8 (0.51) | SYKTSPOCYP1A2ALDH1A1L3MBTL1 | |
| SCHEMBL19475065 | 0.73 | ALDH1A1 (0.51) | SYKTSPOHTTKDM4ECYP1A2 | |
| SCHEMBL28997456 | 0.70 | SYK (0.47) | SYKLMNAKDM4EALDH1A1PDK1 | |
| SCHEMBL6733763 | 0.70 | MAPK14 (0.51) | TSPOKDM4EALDH1A1PDK1TRPM8 | |
| SCHEMBL19512883 | 0.70 | TSPO (0.43) | SYKTSPOLTB4R2LMNAHTT | |
| SCHEMBL3443470 | 0.68 | LMNA (0.44) | SYKAURKBINCENPLMNAHTT | |
| SCHEMBL26128688 | 0.68 | SMN1; SMN2 (0.52) | HTTKDM4ECYP1A2ALDH1A1L3MBTL1 | |
| SCHEMBL7750339 | 0.68 | HDAC3 (0.47) | LMNAKDM4EESR1ESR2ALDH1A1 |
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-2017184589-A1 | A VERSATILE LIGAND FOR PALLADIUM-CATALYZED META-C-H FUNCTIONALIZATIONS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2017-10-26 | — | — | WO | disclosed |