Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.50 |
| ▸ | CA7 | P43166 | 3/20 | 0.50 |
| ▸ | CA9 | Q16790 | 3/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.43 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.42 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.42 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30785063 | 1.00 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL28392341 | 0.98 | CA1 (0.48) | CA1CA2CA7CA9CA12 | |
| SCHEMBL7509528 | 0.98 | CA1 (0.48) | CA1CA2CA7CA9CA12 | |
| SCHEMBL11306042 | 0.98 | CA1 (0.48) | CA1CA2CA7CA9CA12 | |
| SCHEMBL7509892 | 0.98 | CA1 (0.48) | CA1CA2CA7CA9CA12 | |
| SCHEMBL7521503 | 0.98 | CA1 (0.48) | CA1CA2CA7CA9CA12 | |
| SCHEMBL27509890 | 0.84 | APP (0.44) | CA1CA2CA7CA9CA12 | |
| SCHEMBL6535599 | 0.82 | NFE2L2 (0.45) | CA1CA2CA7CA9CA12 | |
| SCHEMBL23110588 | 0.80 | CA1 (0.41) | CA1CA2CA7CA9CA12 | |
| SCHEMBL17024071 | 0.78 | CA1 (0.50) | CA1CA2CA7CA9CA12 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3594202-B1 | SUBSTITUTED PYRROLIDINE COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICALS CO (JP) | 2021-08-11 | — | — | EP | disclosed |
| EP-2489350-A1 | N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors | Johns Hopkins University School of Medicine (US) | 2012-08-22 | — | — | EP | disclosed |
| US-6784184-B2 | FOR THERAPY OF RAS- ONCOGENE-DEPENDENT TUMORS, SUCH AS CANCERS OF PANCREAS, COLON, BLADDER, AND THYROID; USEFUL FOR CONTROLLING METASTASIS, SUPPRESSING ANGIOGENESIS, INDUCING APOPTOSIS, AND RAS-ASSOCIATED PROLIFERATIVE DISEASES | WYETH HOLDINGS CORPORATION | 2004-08-31 | — | — | US | disclosed |
| US-6605628-B1 | Treatment of ras oncogene-dependent tumors; controlling metastasis, suppressing angiogenesis, inducing apoptosis | WYETH HOLDINGS CORPORATION | 2003-08-12 | — | — | US | disclosed |
| US-4602084-A | Monoazo dyes containing a 4-substituted-2-azo-1,1'-diphenylsulfone component | CIBA-GEIGY CORPORATION (US) | 1986-07-22 | — | — | US | disclosed |