Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 17/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.63 |
| ▸ | MEN1 | O00255 | 2/20 | 0.63 |
| ▸ | MAPT | P10636 | 2/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 4/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.58 |
| ▸ | USP2 | O75604 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 2/20 | 0.51 |
| ▸ | MAOB | P27338 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL17786274 | 0.80 | CYP1A2 (0.68) | ALDH1A1KMT2AMEN1MAPTLMNA | |
| SCHEMBL28061963 | 0.79 | RXFP1 (0.59) | KMT2AMEN1MAOAMAOBCYP2C19 | |
| SCHEMBL17207521 | 0.78 | ALDH1A1 (1.00) | ALDH1A1KMT2AMEN1TSHRNPSR1 | |
| SCHEMBL17786283 | 0.78 | TSHR (0.58) | ALDH1A1KMT2AMEN1MAPTLMNA | |
| SCHEMBL17207523 | 0.77 | ALDH1A1 (1.00) | ALDH1A1KMT2AMEN1TSHRNPSR1 | |
| SCHEMBL17791583 | 0.77 | ALDH1A1 (0.81) | ALDH1A1KMT2AMEN1LMNATSHR | |
| SCHEMBL17791573 | 0.76 | ALDH1A1 (0.75) | ALDH1A1KMT2AMEN1LMNATSHR | |
| SCHEMBL17207512 | 0.75 | ALDH1A1 (1.00) | ALDH1A1KMT2AMEN1MAPTTSHR | |
| SCHEMBL17786253 | 0.75 | ALDH1A1 (1.00) | ALDH1A1KMT2AMEN1MAPTLMNA | |
| SCHEMBL17786233 | 0.75 | ALDH1A1 (1.00) | ALDH1A1KMT2AMEN1LMNATSHR |
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 |