Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CFTR | P13569 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28645021 | 0.89 | ALDH1A1 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28298575 | 0.86 | ALDH1A1 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28259615 | 0.82 | POLB (0.42) | ALDH1A1TSHRPOLBHPGDRAB9A | |
| SCHEMBL29158062 | 0.81 | ALDH1A1 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28221802 | 0.79 | GAA (0.38) | ALDH1A1TSHRPOLBHPGDSMN1; SMN2 | |
| SCHEMBL28401537 | 0.78 | CA1 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28760039 | 0.77 | ALDH1A1 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27959009 | 0.76 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27999131 | 0.75 | GAA (0.44) | ALDH1A1TSHRPOLBHPGDSMN1; SMN2 | |
| SCHEMBL27327171 | 0.72 | CA12 (0.47) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105829305-B | NRF2 regulator | 葛兰素史密斯克莱知识产权发展有限公司 | 2018-11-30 | — | — | CN | disclosed |