Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SOS1 | Q07889 | 1/20 | 0.64 |
| ▸ | PTGS2 | P35354 | 8/20 | 0.60 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.60 |
| ▸ | CA2 | P00918 | 9/20 | 0.58 |
| ▸ | CA1 | P00915 | 8/20 | 0.58 |
| ▸ | CA9 | Q16790 | 7/20 | 0.56 |
| ▸ | CA12 | O43570 | 6/20 | 0.56 |
| ▸ | CA4 | P22748 | 3/20 | 0.56 |
| ▸ | CA7 | P43166 | 3/20 | 0.56 |
| ▸ | MAOA | P21397 | 2/20 | 0.56 |
| ▸ | MAOB | P27338 | 1/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.51 |
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 | 0.91 | SOS1 (0.75) | SOS1PTGS2PTGS1CA2CA1 | |
| SCHEMBL31527705 | 0.91 | SOS1 (0.75) | SOS1PTGS2PTGS1CA2CA1 | |
| Iodide SCHEMBL28540305 | 0.88 | SOS1 (0.72) | SOS1PTGS2PTGS1CA2CA1 | |
| Hydrochloric Acid SCHEMBL29876112 | 0.88 | SOS1 (0.72) | SOS1PTGS2PTGS1CA2CA1 | |
| SCHEMBL8043459 | 0.88 | SOS1 (0.72) | SOS1PTGS2PTGS1CA2CA1 | |
| SCHEMBL1430142 | 0.84 | CA2 (0.76) | SOS1PTGS2PTGS1CA2CA1 | |
| Sulfanilamide SCHEMBL27994963 | 0.82 | CA2 (0.77) | SOS1PTGS2PTGS1CA2CA1 | |
| SCHEMBL27510169 | 0.78 | SOS1 (1.00) | SOS1PTGS2PTGS1CA2CA1 | |
| Acrylic Acid SCHEMBL28634409 | 0.78 | CA1 (0.57) | SOS1PTGS2PTGS1CA2CA1 | |
| SCHEMBL202948 | 0.77 | CA2 (0.81) | CA2CA1CA9CA12CA4 |
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-110452143-B | Method for mildly and efficiently synthesizing 1, 3-disulfide derivative | 西南民族大学 | 2020-04-28 | — | — | CN | disclosed |