Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13393088 | 0.80 | ALDH1A1 (0.44) | ALDH1A1TP53CYP3A4ALOX15TSHR | |
| SCHEMBL978309 | 0.78 | BCL9 (0.46) | ALDH1A1CYP3A4TSHRCA1CA2 | |
| SCHEMBL20324943 | 0.75 | CA1 (0.48) | ALDH1A1TSHRTAS1R3TAS1R1CA12 | |
| SCHEMBL28153336 | 0.74 | LTA4H (0.41) | ALDH1A1CYP3A4SMN1; SMN2SLC6A2SLC6A4 | |
| SCHEMBL8552039 | 0.72 | CA12 (0.44) | ALDH1A1TAS1R3TAS1R1CA12CA1 | |
| SCHEMBL9266324 | 0.71 | ALDH1A3 (0.47) | ALDH1A1CYP3A4SMN1; SMN2TAS1R3TAS1R1 | |
| SCHEMBL8888230 | 0.71 | MMP13 (0.42) | ALDH1A1TAS1R3TAS1R1MMP1MMP13 | |
| SCHEMBL1071990 | 0.71 | CA1 (0.48) | ALDH1A1TP53CYP3A4ALOX15TSHR | |
| SCHEMBL7646764 | 0.70 | ALDH1A1 (0.42) | ALDH1A1TP53CYP3A4ALOX15TSHR | |
| SCHEMBL8056247 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7732365-B2 | Enantioselective amination and etherification | YALE UNIVERSITY (US) | 2010-06-08 | — | — | US | disclosed |
| US-20060199728-A1 | Enantioselective amination and etherification | YALE UNIVERSITY (US) | 2006-09-07 | — | — | US | disclosed |
| WO-2004024684-A2 | ENANTIOSELECTIVE AMINATION AND ETHERIFICATION | YALE UNIVERSITY (US) | 2004-03-25 | — | — | WO | disclosed |