Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.58 |
| ▸ | RAB9A | P51151 | 6/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.58 |
| ▸ | TP53 | P04637 | 6/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.58 |
| ▸ | HPGD | P15428 | 5/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | MET | P08581 | 4/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 3/20 | 0.49 |
| ▸ | TOP2A | P11388 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 6/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL12076627 | 0.83 | KDM4E (0.62) | NPC1RAB9AALDH1A1HSD17B10KDM4E | |
| SCHEMBL16581490 | 0.82 | KDM4E (0.60) | NPC1RAB9AALDH1A1HSD17B10KDM4E | |
| SCHEMBL29504749 | 0.80 | TOP2A (0.62) | NPC1RAB9AALDH1A1HSD17B10KDM4E | |
| SCHEMBL171055 | 0.80 | TOP2A (0.62) | NPC1RAB9AALDH1A1HSD17B10KDM4E | |
| SCHEMBL30132417 | 0.80 | ATM (0.61) | NPC1RAB9AALDH1A1HSD17B10KDM4E | |
| SCHEMBL2381205 | 0.80 | ATM (0.61) | NPC1RAB9AALDH1A1HSD17B10KDM4E | |
| SCHEMBL16005595 | 0.79 | ALDH1A1 (0.60) | NPC1RAB9AALDH1A1HSD17B10KDM4E | |
| SCHEMBL2386939 | 0.79 | NPC1 (0.56) | NPC1RAB9AALDH1A1HSD17B10KDM4E | |
| SCHEMBL12854009 | 0.79 | TOP2A (0.60) | NPC1RAB9AALDH1A1HSD17B10KDM4E | |
| SCHEMBL2388942 | 0.79 | MET (0.65) | NPC1RAB9AALDH1A1HSD17B10KDM4E |
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-2215085-A2 | PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS | AstraZeneca AB (SE) | 2010-08-11 | — | — | EP | disclosed |
| WO-2009053737-A2 | PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS | ASTRAZENECA AB (SE) | 2009-04-30 | — | — | WO | disclosed |