Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 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 | |
|---|---|---|---|---|
| SCHEMBL7776205 | 0.82 | CA1 (0.46) | CA4CA12CA1CA2CA7 | |
| SCHEMBL3296249 | 0.77 | CA4 (0.50) | CA4CA12CA1CA2CA7 | |
| SCHEMBL9618104 | 0.77 | IDO1 (0.39) | IDO1TDO2KMT2AL3MBTL1ALDH1A1 | |
| SCHEMBL7849398 | 0.77 | POLB (0.45) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3291158 | 0.75 | SLC6A4 (0.39) | TSHRALDH1A1CYP2C19 | |
| SCHEMBL11405094 | 0.75 | CA12 (0.48) | CA4CA12CA1CA2CA7 | |
| SCHEMBL3294416 | 0.75 | CA4 (0.46) | CA4CA12CA1CA2CA7 | |
| SCHEMBL7849394 | 0.75 | HTT (0.43) | CA4CA12CA1CA2CA7 | |
| SCHEMBL10980939 | 0.74 | KDM4E (0.33) | KMT2APOLBCYP2C19 | |
| SCHEMBL22975371 | 0.74 | CA1 (0.50) | CA4CA12CA1CA2CA7 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |