Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 12/20 | 0.45 |
| ▸ | CA2 | P00918 | 12/20 | 0.45 |
| ▸ | CA12 | O43570 | 9/20 | 0.45 |
| ▸ | CA7 | P43166 | 7/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 7/20 | 0.45 |
| ▸ | CA9 | Q16790 | 8/20 | 0.40 |
| ▸ | PNMT | P11086 | 5/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 4/20 | 0.36 |
| ▸ | CA6 | P23280 | 4/20 | 0.36 |
| ▸ | CA5A | P35218 | 4/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18007525 | 0.68 | CA2 (0.53) | CA1CA2CA12CA7CA14 | |
| SCHEMBL17824795 | 0.68 | CA1 (0.45) | CA1CA2CA12CA7CA14 | |
| SCHEMBL4024315 | 0.67 | CA1 (0.53) | CA1CA2CA12CA7CA14 | |
| SCHEMBL10700297 | 0.65 | CA2 (0.58) | CA1CA2CA12CA7CA14 | |
| SCHEMBL29902411 | 0.64 | MEN1 (0.63) | CA1CA2CA12CA7CA14 | |
| SCHEMBL29519756 | 0.62 | CA1 (1.00) | CA1CA2CA12CA7CA14 | |
| SCHEMBL2011443 | 0.62 | CA1 (1.00) | CA1CA2CA12CA7CA14 | |
| SCHEMBL8879406 | 0.62 | CA1 (0.92) | CA1CA2CA12CA7CA14 | |
| SCHEMBL28218357 | 0.62 | KMT2A (0.61) | CA1CA2CA12CA7CA14 | |
| SCHEMBL6761562 | 0.61 | CA1 (0.67) | CA1CA2CA12CA7CA14 |
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-1855688-A2 | NITRIC OXIDE ENHANCING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2007-11-21 | — | — | EP | disclosed |
| WO-2006091716-A2 | NITRIC OXIDE ENHANCING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2006-08-31 | — | — | WO | disclosed |