Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | CDC7 | O00311 | 2/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CDK8 | P49336 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CDK9 | P50750 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | KDM5A | P29375 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28189129 | 0.77 | KMT2A (0.60) | NPC1HTTMEN1KMT2ACYP2C9 | |
| SCHEMBL17145030 | 0.76 | KMT2A (0.47) | CDC7MEN1KMT2ACYP2C9CYP1A2 | |
| SCHEMBL883905 | 0.75 | KMT2A (0.58) | NPC1MEN1KMT2ACYP2C9CYP1A2 | |
| SCHEMBL6623037 | 0.75 | CDC7 (0.46) | NPC1CDC7ROCK2MAP4K4CDK2 | |
| SCHEMBL29263048 | 0.74 | LRRK2 (0.45) | NPC1CDC7HTTMEN1KMT2A | |
| SCHEMBL30949148 | 0.74 | LRRK2 (0.45) | NPC1CDC7HTTMEN1KMT2A | |
| SCHEMBL3087045 | 0.74 | NPC1 (0.49) | NPC1CDC7ROCK2MAP4K4CDK2 | |
| SCHEMBL17145075 | 0.74 | KMT2A (0.48) | CDC7MEN1KMT2ACYP2C9CYP1A2 | |
| SCHEMBL4787744 | 0.73 | CDK8 (0.50) | NPC1CDC7ROCK2MAP4K4CDK2 | |
| SCHEMBL11399275 | 0.72 | KMT2A (0.68) | CDC7MEN1KMT2ACYP2C9CYP1A2 |
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-2008085119-A1 | NEW PYRIDINE ANALOGUES VIII 518 | ASTRAZENECA AB (SE) | 2008-07-17 | — | — | WO | disclosed |