Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 2/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.33 |
| ▸ | MIF | P14174 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | NAAA | Q02083 | 3/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.32 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.31 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16674489 | 0.87 | ADRB2 (0.49) | ADRB2PDPK1MIFALDH1A1NAAA | |
| SCHEMBL21084402 | 0.80 | ADRB2 (0.48) | ADRB2PDPK1MIFCA2CA9 | |
| SCHEMBL26316554 | 0.79 | ADRB2 (0.48) | ADRB2 | |
| SCHEMBL13527310 | 0.79 | ADRB2 (0.42) | ADRB2PDPK1MIFALDH1A1CA2 | |
| SCHEMBL30148114 | 0.78 | ADRB2 (0.44) | ADRB2MIFNAAA | |
| SCHEMBL14080220 | 0.78 | ADRB2 (0.44) | ADRB2SPHK1MIFNAAA | |
| SCHEMBL15907593 | 0.77 | MIF (0.53) | ADRB2MIFNAAA | |
| SCHEMBL21806693 | 0.77 | ADRB2 (0.39) | ADRB2PDPK1SPHK1MIFNAAA | |
| SCHEMBL28384138 | 0.76 | NAAA (0.55) | MIFNAAA | |
| SCHEMBL15994916 | 0.76 | NAAA (0.55) | MIFNAAA |
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-2020061300-A1 | NOVEL ANNULATION CATALYSTS VIA DIRECT C-H BOND AMINATION | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2020-03-26 | — | — | WO | disclosed |