Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.68 |
| ▸ | RECQL | P46063 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.61 |
| ▸ | MAPT | P10636 | 4/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.61 |
| ▸ | HTT | P42858 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | MAOA | P21397 | 2/20 | 0.53 |
| ▸ | MAOB | P27338 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL25219229 | 0.83 | CYP1A2 (0.83) | CYP1A2CYP2C19RECQLNPSR1MEN1 | |
| SCHEMBL27600191 | 0.82 | CYP1A2 (0.63) | CYP1A2CYP2C19RECQLALDH1A1MAPT | |
| SCHEMBL6847172 | 0.82 | CYP1A2 (0.71) | CYP1A2CYP2C19RECQLALDH1A1MAPT | |
| SCHEMBL25522729 | 0.82 | CYP1A2 (0.71) | CYP1A2CYP2C19RECQLALDH1A1TSHR | |
| SCHEMBL460340 | 0.81 | CYP1A2 (0.75) | CYP1A2CYP2C19RECQLTSHRSMN1; SMN2 | |
| SCHEMBL27582896 | 0.81 | CYP1A2 (1.00) | CYP1A2CYP2C19RECQLTSHRSMN1; SMN2 | |
| SCHEMBL6847258 | 0.80 | CYP2C19 (0.68) | CYP1A2CYP2C19RECQLALDH1A1TSHR | |
| SCHEMBL17786283 | 0.80 | TSHR (0.58) | CYP1A2CYP2C19ALDH1A1MAPTNPSR1 | |
| SCHEMBL17786276 | 0.80 | ALDH1A1 (0.63) | CYP1A2CYP2C19ALDH1A1MAPTNPSR1 | |
| SCHEMBL27600244 | 0.79 | RECQL (0.91) | CYP1A2CYP2C19RECQLALDH1A1MAPT |
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 |