Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1012284 | 0.91 | PKM (0.44) | PKMALDH1A1NPC1RAB9AMAPT | |
| Hydrochloric Acid SCHEMBL31713066 | 0.89 | PKM (0.42) | PKMALDH1A1NPC1RAB9AMAPT | |
| SCHEMBL23982485 | 0.74 | PKM (0.31) | PKMALDH1A1POLB | |
| SCHEMBL17895138 | 0.74 | PKM (0.44) | PKMALDH1A1NPC1RAB9AMAPT | |
| SCHEMBL16441499 | 0.73 | JAK2 (0.36) | — | |
| SCHEMBL16446435 | 0.72 | KDM4E (0.33) | CNR1CNR2 | |
| SCHEMBL17796424 | 0.71 | MAPT (0.36) | PKMALDH1A1NPC1RAB9AMAPT | |
| SCHEMBL17940 | 0.71 | PKM (0.49) | PKMALDH1A1NPC1RAB9AMAPT | |
| SCHEMBL1241627 | 0.71 | PKM (0.47) | PKMALDH1A1NPC1RAB9AMAPT | |
| SCHEMBL27787731 | 0.70 | PKM (0.51) | PKMALDH1A1NPC1RAB9AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-105452241-B | Carboxamides derivatives of ((base of pyrimidine 4) epoxide) 1H indoles 1 and application thereof | 诺华股份有限公司 | 2018-01-05 | — | — | CN | disclosed |
| CN-105452241-A | Pyrimidin-4-yl)oxy)-1H-indole-1-carboxamide derivatives and use thereof | NOVARTIS AG | 2016-03-30 | — | — | CN | disclosed |