Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 1/20 | 0.65 |
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 5/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | PKM | P14618 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | LCK | P06239 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL17299899 | 0.84 | CYP2D6 (0.72) | HSD17B3CA12CA1CA9ALDH1A1 | |
| Hydrogen Sulfide SCHEMBL27992899 | 0.82 | CYP2D6 (0.70) | HSD17B3CA12CA1CA9ALDH1A1 | |
| SCHEMBL9263422 | 0.82 | HSD17B3 (0.55) | HSD17B3CA12CA1CA9MAOB | |
| SCHEMBL15963915 | 0.82 | LCK (0.70) | CA12CA1CA9ALDH1A1PKM | |
| SCHEMBL6589340 | 0.81 | MAOB (0.68) | CA12CA1CA9MAOBALDH1A1 | |
| SCHEMBL15689721 | 0.80 | MAOB (0.62) | CA12CA1CA9MAOBALDH1A1 | |
| SCHEMBL27582322 | 0.80 | CA12 (0.62) | CA12CA1CA9MAOBALDH1A1 | |
| SCHEMBL5138108 | 0.79 | HSD17B3 (1.00) | HSD17B3CA12CA9MAOBALDH1A1 | |
| SCHEMBL11946745 | 0.79 | ALDH1A1 (0.67) | HSD17B3ALDH1A1PKMMEN1KMT2A | |
| SCHEMBL17403187 | 0.78 | KDM4E (0.57) | CA12CA1MAOBALDH1A1PKM |
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 | disclosed |
| WO-1994012488-A1 | NITROXY COMPOUNDS WITH PHARMACEUTICAL PROPERTIES | BYK NEDERLAND BV (NL) | 1994-06-09 | — | — | WO | disclosed |