Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 1.00 |
| ▸ | TSHR | P16473 | 1/20 | 0.85 |
| ▸ | CNOT7 | Q9UIV1 | 4/20 | 0.79 |
| ▸ | ADORA2B | P29275 | 7/20 | 0.78 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.78 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.78 |
| ▸ | POLB | P06746 | 1/20 | 0.69 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.69 |
| ▸ | LMNA | P02545 | 2/20 | 0.63 |
| ▸ | MAPT | P10636 | 1/20 | 0.63 |
| ▸ | GLA | P06280 | 1/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | UBE2N | P61088 | 1/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL15012556 | 0.87 | ALDH1A1 (0.77) | ALDH1A1TSHRCNOT7ADORA2BSMN1; SMN2 | |
| SCHEMBL1944405 | 0.87 | ADORA2B (1.00) | ALDH1A1TSHRADORA2BSMN1; SMN2RXFP1 | |
| SCHEMBL27583105 | 0.87 | CNOT7 (0.78) | ALDH1A1TSHRCNOT7ADORA2BSMN1; SMN2 | |
| SCHEMBL28752095 | 0.86 | ALDH1A1 (0.75) | ALDH1A1TSHRCNOT7ADORA2BSMN1; SMN2 | |
| SCHEMBL11884633 | 0.85 | TSHR (0.78) | ALDH1A1TSHRCNOT7ADORA2BSMN1; SMN2 | |
| SCHEMBL28749916 | 0.85 | ALDH1A1 (0.73) | ALDH1A1TSHRCNOT7ADORA2BSMN1; SMN2 | |
| SCHEMBL27600305 | 0.85 | ALDH1A1 (0.73) | ALDH1A1TSHRCNOT7ADORA2BSMN1; SMN2 | |
| SCHEMBL10895834 | 0.84 | TSHR (0.72) | ALDH1A1TSHRCNOT7ADORA2BSMN1; SMN2 | |
| SCHEMBL27600238 | 0.84 | ALDH1A1 (0.72) | ALDH1A1TSHRCNOT7ADORA2BSMN1; SMN2 | |
| Methane SCHEMBL27600242 | 0.84 | ALDH1A1 (0.72) | ALDH1A1TSHRCNOT7ADORA2BSMN1; SMN2 |
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 |