Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.63 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 9/20 | 0.56 |
| ▸ | CA1 | P00915 | 7/20 | 0.56 |
| ▸ | CA12 | O43570 | 7/20 | 0.56 |
| ▸ | CA9 | Q16790 | 6/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 4/20 | 0.53 |
| ▸ | SOS1 | Q07889 | 3/20 | 0.53 |
| ▸ | ABL1 | P00519 | 1/20 | 0.52 |
| ▸ | BCR | P11274 | 1/20 | 0.52 |
| ▸ | KIF11 | P52732 | 1/20 | 0.48 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1137645 | 0.98 | PTGS2 (0.65) | PTGS2PTGS1ALDH1A1HTTCA2 | |
| SCHEMBL9496011 | 0.96 | PTGS2 (0.63) | PTGS2PTGS1ALDH1A1HTTCA2 | |
| Hydrochloric Acid SCHEMBL29087408 | 0.96 | PTGS2 (0.63) | PTGS2PTGS1ALDH1A1HTTCA2 | |
| Ammonia Solution, Strong SCHEMBL29087279 | 0.96 | PTGS2 (0.63) | PTGS2PTGS1ALDH1A1HTTCA2 | |
| SCHEMBL18118195 | 0.92 | PTGS2 (0.68) | PTGS2PTGS1ALDH1A1HTTCA2 | |
| SCHEMBL28005087 | 0.85 | CA1 (0.54) | PTGS2PTGS1ALDH1A1HTTCA2 | |
| SCHEMBL20474626 | 0.82 | ALDH1A1 (0.55) | PTGS2PTGS1ALDH1A1HTTCA2 | |
| SCHEMBL28366742 | 0.81 | MAOA (0.64) | PTGS2PTGS1CA2CA1 | |
| SCHEMBL13542559 | 0.79 | FFAR4 (0.50) | PTGS2PTGS1SLC6A4SLC6A3KIF11 | |
| SCHEMBL8384218 | 0.79 | PTGS2 (1.00) | PTGS2PTGS1ABL1BCR |
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-116806217-A | Substituted cyclic modulators of protein phosphatase 2A (PP 2A) and methods of use thereof | 拉帕塔疗法公司 | 2023-09-26 | — | — | CN | disclosed |