Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 14/20 | 0.69 |
| ▸ | TSHR | P16473 | 8/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.69 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.67 |
| ▸ | USP2 | O75604 | 3/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.66 |
| ▸ | LMNA | P02545 | 3/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.65 |
| ▸ | MAPT | P10636 | 2/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.65 |
| ▸ | HPGD | P15428 | 1/20 | 0.65 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.65 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.65 |
| ▸ | RECQL | P46063 | 1/20 | 0.65 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.65 |
| ▸ | TP53 | P04637 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.63 |
| ▸ | GAA | P10253 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL6348692 | 0.88 | BRAF (0.72) | ALDH1A1TSHRMAPK1KDM4EMAPT | |
| SCHEMBL28749925 | 0.86 | ALDH1A1 (0.68) | ALDH1A1TSHRHSD17B10MAPK1USP2 | |
| SCHEMBL7562242 | 0.79 | DPP4 (0.84) | ALDH1A1TSHRHSD17B10MAPK1USP2 | |
| SCHEMBL9392196 | 0.79 | RECQL (0.61) | ALDH1A1TSHRHSD17B10MAPK1USP2 | |
| SCHEMBL22828426 | 0.79 | POLB (0.66) | ALDH1A1TSHRHSD17B10MAPK1USP2 | |
| SCHEMBL555082 | 0.78 | BRAF (0.72) | ALDH1A1TSHRMAPK1KDM4EMAPT | |
| SCHEMBL9392199 | 0.77 | RECQL (0.65) | ALDH1A1HSD17B10MAPK1USP2LMNA | |
| SCHEMBL4667126 | 0.77 | RECQL (0.76) | ALDH1A1TSHRMAPK1USP2SMN1; SMN2 | |
| SCHEMBL18834052 | 0.77 | ATM (0.72) | ALDH1A1TSHRHSD17B10MAPK1USP2 | |
| SCHEMBL5641788 | 0.76 | DPP4 (0.78) | ALDH1A1TSHRHSD17B10MAPK1USP2 |
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 |