Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13660425 | 1.00 | CA12 (0.48) | CA12CA2CA9CA1KMT2A | |
| SCHEMBL7028330 | 0.91 | CA12 (0.43) | CA12CA2CA9CA1KMT2A | |
| SCHEMBL27257857 | 0.86 | KLK5 (0.45) | CA12CA2CA9CA1KMT2A | |
| SCHEMBL13881222 | 0.86 | ITGA4 (0.45) | CA12CA2CA9CA1KMT2A | |
| SCHEMBL5930583 | 0.84 | CA12 (0.43) | CA12CA2CA9CA1ALDH1A1 | |
| SCHEMBL11481798 | 0.83 | CA12 (0.49) | CA12CA2CA9CA1KMT2A | |
| SCHEMBL6951139 | 0.83 | ALDH1A1 (0.50) | CA12CA2CA9CA1KMT2A | |
| SCHEMBL6951142 | 0.83 | ALDH1A1 (0.50) | CA12CA2CA9CA1KMT2A | |
| SCHEMBL5936826 | 0.83 | KMT2A (0.47) | CA12CA2CA9KMT2AATM | |
| SCHEMBL22661871 | 0.83 | KMT2A (0.47) | CA12CA2CA9KMT2AATM |
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-105392788-B | Substituted bridging urea analog as Sirtuin conditioning agent | 葛兰素史密斯克莱有限责任公司 | 2018-10-23 | — | — | CN | disclosed |