Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 12/20 | 0.63 |
| ▸ | CA9 | Q16790 | 12/20 | 0.63 |
| ▸ | CA1 | P00915 | 11/20 | 0.63 |
| ▸ | CA7 | P43166 | 6/20 | 0.63 |
| ▸ | CA6 | P23280 | 5/20 | 0.63 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.63 |
| ▸ | CA4 | P22748 | 5/20 | 0.63 |
| ▸ | CA2 | P00918 | 4/20 | 0.63 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.63 |
| ▸ | CA5A | P35218 | 3/20 | 0.63 |
| ▸ | CA3 | P07451 | 3/20 | 0.63 |
| ▸ | MAOB | P27338 | 7/20 | 0.61 |
| ▸ | MAOA | P21397 | 6/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL12304245 | 0.87 | CA12 (0.81) | CA12CA9CA1CA7CA6 | |
| SCHEMBL24045405 | 0.81 | CA12 (0.82) | CA12CA9CA1CA7CA6 | |
| SCHEMBL9265361 | 0.79 | MAOB (0.65) | CA12CA1CA7CA4CA2 | |
| SCHEMBL9214643 | 0.78 | CA12 (0.77) | CA12CA9CA1CA7CA6 | |
| SCHEMBL20005597 | 0.78 | CA12 (0.72) | CA12CA9CA1CA7CA6 | |
| SCHEMBL31086623 | 0.78 | CA12 (0.77) | CA12CA9CA1CA7CA6 | |
| SCHEMBL6590585 | 0.78 | CA12 (0.72) | CA12CA9CA1CA7CA6 | |
| SCHEMBL8515810 | 0.78 | CA12 (1.00) | CA12CA9CA1CA7CA6 | |
| SCHEMBL31086804 | 0.78 | CA12 (0.77) | CA12CA9CA1CA7CA6 | |
| SCHEMBL6834561 | 0.78 | CA12 (1.00) | CA12CA9CA1CA7CA6 |
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-0670833-A1 | NITROXY COMPOUNDS WITH PHARMACEUTICAL PROPERTIES | IOVIS BIOMEDICAL AND PHARMACEUTICAL CONSULTANTS (NL) | 1995-09-13 | — | — | EP | claimed |
| WO-1994012488-A1 | NITROXY COMPOUNDS WITH PHARMACEUTICAL PROPERTIES | BYK NEDERLAND BV (NL) | 1994-06-09 | — | — | WO | claimed |