Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPR3 | P17342 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TAS1R3 | Q7RTX0 | 5/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 5/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ELANE | P08246 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6529952 | 1.00 | NPR3 (0.42) | NPR3CYP2C9CYP2C19TAS1R3TAS1R1 | |
| SCHEMBL6530303 | 0.84 | VNN1 (0.44) | NPR3CYP2C9CYP2C19TAS1R3TAS1R1 | |
| SCHEMBL6529224 | 0.82 | NPR3 (0.56) | NPR3CYP2C9CYP2C19TAS1R3TAS1R1 | |
| SCHEMBL6528199 | 0.79 | ANPEP (0.43) | NPR3CYP2C9CYP2C19TAS1R3TAS1R1 | |
| SCHEMBL6528195 | 0.79 | ANPEP (0.43) | NPR3CYP2C9CYP2C19TAS1R3TAS1R1 | |
| SCHEMBL6513091 | 0.78 | HPGD (0.46) | NPR3CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL6531904 | 0.78 | HPGD (0.46) | NPR3CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL6529614 | 0.76 | TAS1R3 (0.39) | NPR3CYP2C9CYP2C19TAS1R3TAS1R1 | |
| SCHEMBL6529615 | 0.76 | TAS1R3 (0.39) | NPR3CYP2C9CYP2C19TAS1R3TAS1R1 | |
| SCHEMBL6530423 | 0.70 | ALDH1A1 (0.47) | CYP2C9CYP2C19ALDH1A1TP53CTSS |
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-2005003103-A2 | 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES | ASTRAZENECA AB (SE) | 2005-01-13 | — | — | WO | claimed |