Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | BCHE | P06276 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | FPR3 | P25089 | 1/20 | 0.43 |
| ▸ | FPR2 | P25090 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.42 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.42 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL16700590 | 0.98 | KDM4E (0.48) | CYP1A2MAPK1SMN1; SMN2CPB2KDM4E | |
| Trifluoroacetic Acid SCHEMBL28941864 | 0.97 | HRH3 (0.50) | CYP1A2MAPK1SMN1; SMN2CPB2KDM4E | |
| Trifluoroacetic Acid SCHEMBL16701135 | 0.95 | CYP1A2 (0.48) | CYP1A2MAPK1SMN1; SMN2CPB2KDM4E | |
| Trifluoroacetic Acid SCHEMBL4246320 | 0.87 | ALDH1A1 (0.42) | CYP1A2MAPK1SMN1; SMN2KDM4EALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL2267524 | 0.85 | SMN1; SMN2 (0.46) | CYP1A2MAPK1SMN1; SMN2KDM4EALDH1A1 | |
| Acetic Acid SCHEMBL15820572 | 0.85 | CYP1A2 (0.53) | CYP1A2MAPK1SMN1; SMN2KDM4EBCHE | |
| Trifluoroacetic Acid SCHEMBL27584030 | 0.85 | GNAO1 (0.48) | CPB2KDM4EALDH1A1GNAI3GNAO1 | |
| Acetic Acid SCHEMBL31035698 | 0.83 | HRH3 (0.54) | CYP1A2MAPK1SMN1; SMN2KDM4EBCHE | |
| Acetic Acid SCHEMBL16701179 | 0.83 | HRH3 (0.54) | CYP1A2MAPK1SMN1; SMN2KDM4EBCHE | |
| Acetic Acid SCHEMBL29252573 | 0.83 | HRH3 (0.54) | CYP1A2MAPK1SMN1; SMN2KDM4EBCHE |
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-2007107152-A2 | DEPOSITION OF NANOSCALE METALS, SEMIMETALS AND COMPOUNDS OF SAID METALS AND/OR SEMIMETALS ON THE BOUNDARY SURFACE BETWEEN A LOW TEMPERATURE DISCHARGE AND AN IONIC LIQUID | JUSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) | 2007-09-27 | — | — | WO | disclosed |