Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | EGFR | P00533 | 2/20 | 0.51 |
| ▸ | ERBB3 | P21860 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | KMO | O15229 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2073745 | 0.90 | SMN1; SMN2 (0.49) | NPC1ALDH1A1ATMRAB9AEGFR | |
| SCHEMBL2074790 | 0.88 | SMN1; SMN2 (0.51) | NPC1ALDH1A1ATMRAB9AEGFR | |
| SCHEMBL2075861 | 0.88 | SMN1; SMN2 (0.51) | NPC1ALDH1A1ATMRAB9AEGFR | |
| SCHEMBL2075431 | 0.85 | LMNA (0.43) | NPC1ALDH1A1ATMRAB9AKDM4E | |
| SCHEMBL2074903 | 0.82 | HRH3 (0.49) | NPC1ALDH1A1ATMSMN1; SMN2 | |
| SCHEMBL2075500 | 0.82 | SMN1; SMN2 (0.42) | ALDH1A1RAB9ASMN1; SMN2RECQLGSK3B | |
| SCHEMBL2075480 | 0.80 | ALDH1A1 (0.51) | NPC1ALDH1A1ATMRAB9AEGFR | |
| SCHEMBL2073074 | 0.79 | HRH4 (0.52) | NPC1ALDH1A1ATMRAB9AEGFR | |
| SCHEMBL2072344 | 0.79 | CNR2 (0.43) | ALDH1A1RAB9ASMN1; SMN2GSK3BDYRK1A | |
| SCHEMBL2075468 | 0.78 | EGFR (0.48) | NPC1ALDH1A1ATMRAB9AEGFR |
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 |
|---|---|---|---|---|---|---|---|
| US-7902184-B2 | Piperazinyl pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-03-08 | — | — | US | disclosed |