Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 14/20 | 0.93 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.68 |
| ▸ | MEN1 | O00255 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.61 |
| ▸ | USP2 | O75604 | 2/20 | 0.61 |
| ▸ | HTT | P42858 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 4/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL17786253 | 0.96 | ALDH1A1 (1.00) | ALDH1A1KMT2AMEN1HSD17B10USP2 | |
| Hydrochloric Acid SCHEMBL30362049 | 0.95 | ALDH1A1 (1.00) | ALDH1A1KMT2AMEN1HSD17B10USP2 | |
| SCHEMBL17791579 | 0.91 | ALDH1A1 (0.89) | ALDH1A1KMT2AMEN1HSD17B10USP2 | |
| SCHEMBL17791583 | 0.84 | ALDH1A1 (0.81) | ALDH1A1KMT2AMEN1HSD17B10USP2 | |
| SCHEMBL17791540 | 0.82 | ALDH1A1 (0.72) | ALDH1A1KMT2AHSD17B10HTTTSHR | |
| SCHEMBL17207512 | 0.82 | ALDH1A1 (1.00) | ALDH1A1KMT2AMEN1HSD17B10USP2 | |
| SCHEMBL17786233 | 0.81 | ALDH1A1 (1.00) | ALDH1A1KMT2AMEN1HSD17B10USP2 | |
| SCHEMBL17786260 | 0.80 | ALDH1A1 (0.75) | ALDH1A1KMT2AMEN1HSD17B10USP2 | |
| SCHEMBL17791573 | 0.80 | ALDH1A1 (0.75) | ALDH1A1KMT2AMEN1HSD17B10USP2 | |
| SCHEMBL17207523 | 0.80 | ALDH1A1 (1.00) | ALDH1A1KMT2AMEN1HSD17B10USP2 |
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 2 patents. 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 |
| 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 |