Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | MMP8 | P22894 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | PPID | Q08752 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL305289 | 0.84 | MMP8 (0.46) | ALDH1A1RECQLTAAR1THRBSMN1; SMN2 | |
| SCHEMBL18065668 | 0.75 | ALDH1A1 (0.51) | ALDH1A1RECQLTAAR1THRBSMN1; SMN2 | |
| SCHEMBL18065684 | 0.75 | ALDH1A1 (0.55) | ALDH1A1RECQLTAAR1THRBSMN1; SMN2 | |
| SCHEMBL15419571 | 0.74 | MMP8 (0.54) | ALDH1A1RECQLTAAR1THRBSMN1; SMN2 | |
| SCHEMBL7617566 | 0.74 | MMP8 (0.61) | ALDH1A1RECQLTAAR1THRBSMN1; SMN2 | |
| SCHEMBL22845583 | 0.74 | ALDH1A1 (0.48) | ALDH1A1RECQLTAAR1THRBSMN1; SMN2 | |
| SCHEMBL755369 | 0.74 | ALDH1A1 (0.48) | ALDH1A1RECQLTAAR1THRBSMN1; SMN2 | |
| SCHEMBL22666025 | 0.73 | ALDH1A1 (0.49) | ALDH1A1RECQLTAAR1THRBSMN1; SMN2 | |
| SCHEMBL18085387 | 0.73 | ALDH1A1 (0.49) | ALDH1A1RECQLTAAR1THRBSMN1; SMN2 | |
| SCHEMBL18065664 | 0.73 | ALDH1A1 (0.49) | ALDH1A1RECQLTAAR1THRBSMN1; 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 |
|---|---|---|---|---|---|---|---|
| US-20200407756-A1 | PREPARATION OF TERTIARY ALCOHOLS, RESOLUTION OF TERTIARY ALCOHOLS AND STEREOSELECTIVE DEUTERATION OR TRITIATION BY RETROALDOLASES | ETH ZUERICH (CH) | 2020-12-31 | — | — | US | disclosed |