Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 11/20 | 0.57 |
| ▸ | CA2 | P00918 | 11/20 | 0.57 |
| ▸ | CA9 | Q16790 | 10/20 | 0.57 |
| ▸ | CA12 | O43570 | 7/20 | 0.57 |
| ▸ | CA4 | P22748 | 4/20 | 0.57 |
| ▸ | CA7 | P43166 | 3/20 | 0.57 |
| ▸ | MAOA | P21397 | 1/20 | 0.57 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.51 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL283919 | 0.82 | SOS1 (0.75) | CA1CA2CA9CA12CA4 | |
| Acrylic Acid Methyl Ester SCHEMBL29076835 | 0.82 | CA1 (0.54) | CA1CA2CA9CA12CA4 | |
| SCHEMBL31527705 | 0.82 | SOS1 (0.75) | CA1CA2CA9CA12CA4 | |
| SCHEMBL8043459 | 0.80 | SOS1 (0.72) | CA1CA2CA9CA12CA4 | |
| Iodide SCHEMBL28540305 | 0.80 | SOS1 (0.72) | CA1CA2CA9CA12CA4 | |
| Hydrochloric Acid SCHEMBL29876112 | 0.80 | SOS1 (0.72) | CA1CA2CA9CA12CA4 | |
| Trifluoroacetic Acid SCHEMBL27865608 | 0.79 | CA2 (0.59) | CA1CA2CA9CA12CA4 | |
| SCHEMBL28385356 | 0.78 | SOS1 (0.64) | CA1CA2CA9CA12CA4 | |
| Acrylic Acid SCHEMBL30115050 | 0.77 | CA1 (0.50) | CA1CA2CA9CA12CA4 | |
| SCHEMBL1430142 | 0.76 | CA2 (0.76) | CA1CA2CA9CA12CA4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113461632-B | Preparation method of methyl 3- ((4-fluorophenyl) sulfonyl) -4-hydroxy-2-methylthiazolidine-2-carboxylate | 上海应用技术大学 | 2022-12-16 | — | — | CN | disclosed |
| CN-113461632-A | Preparation method of methyl 3- ((4-fluorophenyl) sulfonyl) -4-hydroxy-2-methylthiazolidine-2-carboxylate | 上海应用技术大学 | 2021-10-01 | — | — | CN | disclosed |