Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2473849 | 0.73 | KMT2A (0.50) | NPC1PKMHRH4KMT2AMEN1 | |
| SCHEMBL2476480 | 0.71 | PKM (0.55) | NPC1PKMHRH4KMT2AKDM4E | |
| SCHEMBL23579823 | 0.63 | NPC1 (0.70) | NPC1PKMKDM4EALDH1A1MAPT | |
| SCHEMBL23579855 | 0.59 | GPR119 (0.48) | NPC1PKMRAB9AMAPK1GPR119 | |
| SCHEMBL30034822 | 0.59 | GPR119 (0.48) | NPC1PKMRAB9AMAPK1GPR119 | |
| SCHEMBL30034766 | 0.58 | NPC1 (0.70) | NPC1PKMKDM4EALDH1A1MAPT | |
| SCHEMBL23579853 | 0.58 | NPC1 (0.70) | NPC1PKMKDM4EALDH1A1MAPT | |
| SCHEMBL12506016 | 0.58 | GPR119 (0.66) | NPC1PKMGPR119CYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL23580249 | 0.58 | NPC1 (0.68) | NPC1PKMKDM4EALDH1A1MAPT | |
| SCHEMBL604523 | 0.58 | HRH4 (0.54) | NPC1PKMHRH4KMT2AMEN1 |
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-2010080503-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | GENENTECH, INC. (US) | 2010-07-15 | — | — | WO | disclosed |