Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 6/20 | 0.36 |
| ▸ | CA2 | P00918 | 6/20 | 0.36 |
| ▸ | CA9 | Q16790 | 6/20 | 0.36 |
| ▸ | CA5A | P35218 | 3/20 | 0.36 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.35 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 5/20 | 0.35 |
| ▸ | CA12 | O43570 | 4/20 | 0.35 |
| ▸ | CA3 | P07451 | 4/20 | 0.35 |
| ▸ | CA6 | P23280 | 4/20 | 0.35 |
| ▸ | CA7 | P43166 | 4/20 | 0.35 |
| ▸ | CA13 | Q8N1Q1 | 4/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2880855 | 0.93 | CA1 (0.39) | ACLYCA1CA2CA9CA5A | |
| SCHEMBL10281398 | 0.80 | ALDH1A1 (0.51) | ACLYCA1CA2CA9CA5A | |
| SCHEMBL11640624 | 0.78 | TUBB4A (0.34) | ACLYPABPC1EIF4HALDH1A1KDM4E | |
| SCHEMBL11540286 | 0.77 | PABPC1 (0.36) | ACLYPABPC1EIF4HALDH1A1KDM4E | |
| SCHEMBL11549637 | 0.76 | KDM4E (0.50) | CA1CA2CA9CA5APABPC1 | |
| SCHEMBL11543053 | 0.74 | ALDH1A1 (0.56) | ACLYCA1CA2CA9CA5A | |
| SCHEMBL16577895 | 0.73 | PABPC1 (0.38) | PABPC1EIF4HALDH1A1KDM4EHPGD | |
| SCHEMBL11546060 | 0.72 | L3MBTL1 (0.43) | ACLYCA1CA2CA9CA5A | |
| SCHEMBL2883320 | 0.72 | MAPT (0.49) | CA1CA2CA9CA5ACA12 | |
| SCHEMBL11543213 | 0.71 | ALDH1A1 (0.57) | ACLYCA1CA2CA9CA5A |
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-2010085352-A2 | BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE | NEUROTHERAPEUTICS PHARMA, INC. (US) | 2010-07-29 | — | — | WO | disclosed |