Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.52 |
| ▸ | RAB9A | P51151 | 5/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.52 |
| ▸ | MYC | P01106 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3809507 | 0.98 | ALDH1A1 (0.53) | NPC1RAB9AKDM4ENPSR1SMN1; SMN2 | |
| SCHEMBL1336436 | 0.87 | SIRT6 (0.62) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL28750767 | 0.87 | MAPT (0.48) | NPC1RAB9AKDM4ENPSR1SMN1; SMN2 | |
| SCHEMBL26932182 | 0.85 | MYC (0.47) | NPC1KDM4ESMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL15547618 | 0.85 | PRKDC (0.56) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL15547292 | 0.85 | ADRB1 (0.58) | KDM4EALDH1A1MAPTKMT2AMYC | |
| SCHEMBL1098022 | 0.84 | MYC (0.46) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL16608992 | 0.84 | RAB9A (0.53) | NPC1RAB9AKDM4ENPSR1SMN1; SMN2 | |
| SCHEMBL27301539 | 0.84 | KMT2A (0.48) | NPC1RAB9AKDM4ENPSR1SMN1; SMN2 | |
| SCHEMBL16055881 | 0.84 | HIF1A (0.60) | NPC1RAB9AKDM4ENPSR1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101970420-A | Oxadiazole derivatives | MERCK SERONO SA | 2011-02-09 | — | — | CN | disclosed |