Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | NAMPT | P43490 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | USP5 | P45974 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 3/20 | 0.45 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17291066 | 1.00 | GLA (0.50) | GLANAMPTTP53USP5ALDH1A1 | |
| SCHEMBL17290997 | 0.82 | ALDH1A1 (0.62) | ALDH1A1HSD17B10MEN1KMT2AGAA | |
| SCHEMBL17290508 | 0.80 | ALDH1A1 (0.69) | NAMPTALDH1A1TSHRPKMMEN1 | |
| SCHEMBL11201805 | 0.73 | KMT2A (0.45) | TP53ALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL10541229 | 0.72 | GSR (0.54) | MEN1KMT2A | |
| SCHEMBL14837469 | 0.72 | PKM (0.64) | ALDH1A1TSHRPKMMEN1KMT2A | |
| SCHEMBL13778048 | 0.72 | CYP2C9 (0.57) | ALDH1A1TSHRPKMMEN1KMT2A | |
| SCHEMBL4003126 | 0.70 | USP2 (0.48) | NAMPTALDH1A1TSHRPKMMEN1 | |
| SCHEMBL16015073 | 0.70 | GLA (0.51) | GLAALDH1A1TSHRSMN1; SMN2POLB | |
| SCHEMBL4009686 | 0.70 | CYP2D6 (0.49) | NAMPTALDH1A1TSHRPKMMEN1 |
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-3148972-A1 | PYRAZOLONE DERIVATIVES AS NITROXYL DONORS | Cardioxyl Pharmaceuticals Inc. (US) | 2017-04-05 | — | — | EP | disclosed |
| WO-2015183839-A1 | PYRAZOLONE DERIVATIVES AS NITROXYL DONORS | CARDIOXYL PHARMACEUTICALS, INC. (US) | 2015-12-03 | — | — | WO | disclosed |