Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL720246 | 0.93 | NPC1 (0.43) | NPC1RAB9AKMT2AMCHR1KDM4E | |
| SCHEMBL2669939 | 0.92 | NPC1 (0.39) | NPC1RAB9A | |
| SCHEMBL721739 | 0.87 | NPC1 (0.40) | NPC1RAB9AKMT2AMCHR1KDM4E | |
| SCHEMBL719460 | 0.85 | KMT2A (0.47) | NPC1RAB9AKMT2AKDM4EALDH1A1 | |
| SCHEMBL9070786 | 0.83 | NPC1 (0.37) | NPC1RAB9A | |
| SCHEMBL2669955 | 0.83 | ESR1 (0.39) | NPC1RAB9A | |
| SCHEMBL718240 | 0.83 | NPC1 (0.40) | NPC1RAB9AKMT2AMCHR1KDM4E | |
| SCHEMBL720636 | 0.82 | CASP3 (0.44) | NPC1RAB9AKMT2AKDM4EALDH1A1 | |
| SCHEMBL2669958 | 0.81 | CASP3 (0.39) | NPC1RAB9AKMT2AKDM4EALDH1A1 | |
| SCHEMBL13069831 | 0.81 | NPC1 (0.33) | NPC1RAB9AKMT2AMEN1PPARD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2251326-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2010-11-17 | — | — | EP | disclosed |