Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN11 | Q06124 | 1/20 | 0.46 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5952565 | 0.85 | NPC1 (0.50) | ALDH1A1HPGDL3MBTL1MGLLMAPT | |
| SCHEMBL9901980 | 0.80 | BDKRB2 (0.35) | NPC1RAB9ASMN1; SMN2CA12CA1 | |
| SCHEMBL6570768 | 0.79 | KDM4E (0.44) | KDM4EALDH1A1HPGDL3MBTL1MGLL | |
| SCHEMBL28446209 | 0.79 | CYP4A11 (0.48) | ALDH1A1MGLLMAPTNPC1RAB9A | |
| SCHEMBL3722703 | 0.79 | KDM4E (0.43) | KDM4EALDH1A1HPGDL3MBTL1MGLL | |
| SCHEMBL14548509 | 0.77 | MAPT (0.60) | PTPN11KDM4EALDH1A1HPGDL3MBTL1 | |
| SCHEMBL18053288 | 0.77 | ESR1 (0.59) | KDM4EALDH1A1HPGDL3MBTL1MAPT | |
| SCHEMBL69025 | 0.76 | PTPN11 (0.68) | PTPN11LCKKDM4EALDH1A1HPGD | |
| SCHEMBL29365729 | 0.76 | PTPN11 (0.68) | PTPN11LCKKDM4EALDH1A1HPGD | |
| SCHEMBL20178553 | 0.75 | CYP4A11 (0.54) | PTPN11LCKMAPTSMN1; SMN2 |
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-2012054782-A2 | FLUOROALKOXYLATION OF ORGANIC COMPOUNDS | PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) | 2012-04-26 | — | — | WO | disclosed |