Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.71 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.71 |
| ▸ | HTT | P42858 | 5/20 | 0.68 |
| ▸ | LMNA | P02545 | 6/20 | 0.67 |
| ▸ | TSHR | P16473 | 4/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.66 |
| ▸ | GAA | P10253 | 2/20 | 0.66 |
| ▸ | ATM | Q13315 | 1/20 | 0.66 |
| ▸ | GFER | P55789 | 1/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.64 |
| ▸ | MEN1 | O00255 | 2/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.64 |
| ▸ | MAPT | P10636 | 2/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.64 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.64 |
| ▸ | HPGD | P15428 | 2/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL555173 | 0.87 | HTT (0.78) | SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16122930 | 0.87 | SMN1; SMN2 (0.69) | SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL556399 | 0.87 | SMN1; SMN2 (0.69) | SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16028653 | 0.87 | ALDH1A1 (0.76) | SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL556289 | 0.84 | SMN1; SMN2 (0.65) | SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL17786270 | 0.84 | LMNA (0.64) | SMN1; SMN2HTTLMNATSHRALDH1A1 | |
| SCHEMBL556785 | 0.83 | ALDH1A1 (0.75) | SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL555749 | 0.83 | SMN1; SMN2 (0.64) | SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16029209 | 0.82 | HTT (0.78) | SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL14623976 | 0.82 | LMNA (0.84) | SMN1; SMN2HTTLMNATSHRALDH1A1 |
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-2016086008-A1 | SMALL MOLECULE ALDEHYDE DEHYDROGENASE INHIBITORS AND METHODS OF USE THEREOF | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2016-06-02 | — | — | WO | disclosed |