Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | GRM4 | Q14833 | 6/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | IMPDH2 | P12268 | 4/20 | 0.42 |
| ▸ | FLT3 | P36888 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | IMPDH1 | P20839 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | BRAF | P15056 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| SCHEMBL17491482 | 0.92 | CES1 (0.47) | NPC1RAB9AKDM4EPKMALDH1A1 | |
| SCHEMBL17491420 | 0.78 | NPC1 (0.65) | NPC1RAB9AKDM4EPKMALDH1A1 | |
| SCHEMBL17491499 | 0.76 | P2RX1 (0.53) | NPC1RAB9AKDM4EPKMALDH1A1 | |
| SCHEMBL17491475 | 0.76 | P2RX1 (0.51) | NPC1RAB9AKDM4EPKMALDH1A1 | |
| SCHEMBL17491404 | 0.75 | MEN1 (0.61) | NPC1RAB9AKDM4EPKMALDH1A1 | |
| SCHEMBL17491467 | 0.74 | KDM4E (0.66) | NPC1RAB9AKDM4EPKMALDH1A1 | |
| SCHEMBL17491415 | 0.73 | BRAF (0.47) | NPC1RAB9AKDM4EPKMALDH1A1 | |
| SCHEMBL17491537 | 0.72 | TRPA1 (0.60) | NPC1RAB9AKDM4EALDH1A1LMNA | |
| SCHEMBL17491447 | 0.71 | IMPDH2 (0.51) | NPC1RAB9AKDM4EPKMALDH1A1 | |
| SCHEMBL17491494 | 0.71 | ALDH1A1 (0.46) | ALDH1A1LMNAHDAC6IMPDH2IMPDH1 |
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-2982670-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2016-02-10 | — | — | EP | disclosed |