Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 16/20 | 0.52 |
| ▸ | CA1 | P00915 | 9/20 | 0.52 |
| ▸ | CA9 | Q16790 | 8/20 | 0.52 |
| ▸ | CA12 | O43570 | 5/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 4/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 2/20 | 0.45 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.45 |
| ▸ | CA3 | P07451 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3734266 | 0.80 | HSD17B3 (0.56) | SMN1; SMN2TSHRHSD17B10KDM4EKMT2A | |
| SCHEMBL27819285 | 0.78 | ABAT (0.39) | HSD17B10KDM4E | |
| SCHEMBL27798133 | 0.77 | HTR7 (0.56) | CA2CA1 | |
| SCHEMBL27798187 | 0.77 | HDAC3 (0.41) | CA2CA1KMT2A | |
| SCHEMBL39274 | 0.76 | CES2 (0.55) | — | |
| SCHEMBL27819249 | 0.74 | USP5 (0.40) | SMN1; SMN2 | |
| SCHEMBL12917844 | 0.73 | STS (0.67) | CA2CA1CA9CA12KDM4E | |
| SCHEMBL8412560 | 0.70 | CES2 (0.57) | — | |
| Valeric Acid SCHEMBL29640699 | 0.69 | CA2 (0.56) | CA2CA1CA9CA12SMN1; SMN2 | |
| SCHEMBL27819250 | 0.69 | HDAC1 (0.47) | SMN1; SMN2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1077694-A1 | ARYL NITRONE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE | CENTAUR PHARMACEUTICALS, INC. (US) | 2001-02-28 | — | — | EP | disclosed |
| WO-1999059576-A1 | ARYL NITRONE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE | CENTAUR PHARMACEUTICALS, INC. (US) | 1999-11-25 | — | — | WO | disclosed |