Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 6/20 | 0.36 |
| ▸ | CA1 | P00915 | 5/20 | 0.36 |
| ▸ | CA4 | P22748 | 5/20 | 0.36 |
| ▸ | CA5A | P35218 | 5/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 5/20 | 0.36 |
| ▸ | CA12 | O43570 | 4/20 | 0.36 |
| ▸ | CA6 | P23280 | 4/20 | 0.36 |
| ▸ | CA7 | P43166 | 4/20 | 0.36 |
| ▸ | CA9 | Q16790 | 4/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.36 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.33 |
| ▸ | CA3 | P07451 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CA11 | O75493 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6098722 | 0.83 | CA2 (0.45) | NOS1CA2CA1CA4CA5A | |
| SCHEMBL113995 | 0.76 | NOS1 (0.41) | NOS1CA2CA1CA4CA5A | |
| SCHEMBL22021232 | 0.74 | HCRTR2 (0.30) | — | |
| SCHEMBL23569112 | 0.74 | NOS1 (0.39) | NOS1SMN1; SMN2 | |
| SCHEMBL7476144 | 0.74 | NOS1 (0.39) | NOS1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL23569876 | 0.69 | — | — | |
| SCHEMBL22002811 | 0.67 | GAA (0.33) | CA2CA1CA12CA9SMN1; SMN2 | |
| SCHEMBL20904182 | 0.62 | CA1 (0.38) | CA2CA1CA4CA5ACA5B | |
| SCHEMBL21993159 | 0.62 | — | — | |
| SCHEMBL361464 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021123237-A1 | 2-AMINO-N-(AMINO-OXO-ARYL-LAMBDA6-SULFANYLIDENE)ACETAMIDE COMPOUNDS AND THEIR THERAPEUTIC USE | Oxford Drug Design Limited (GB) | 2021-06-24 | — | — | WO | disclosed |