Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 9/20 | 0.45 |
| ▸ | MAPT | P10636 | 9/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.45 |
| ▸ | RAB9A | P51151 | 8/20 | 0.45 |
| ▸ | NPC1 | O15118 | 7/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21118622 | 0.77 | NPC1 (0.43) | GAAMAPTALDH1A1RAB9ANPC1 | |
| SCHEMBL16482031 | 0.75 | GAA (0.43) | GAAMAPTALDH1A1RAB9ANPC1 | |
| SCHEMBL17151530 | 0.70 | HCRTR1 (0.41) | GAAALDH1A1RAB9AKDM4ELMNA | |
| SCHEMBL20976763 | 0.70 | CHRNA4 (0.42) | — | |
| SCHEMBL22877003 | 0.70 | ALDH1A1 (0.32) | GAAALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL22877169 | 0.69 | NPC1 (0.35) | GAAMAPTRAB9ANPC1MEN1 | |
| SCHEMBL21118611 | 0.68 | KDM4E (0.51) | ALDH1A1SMN1; SMN2KDM4EKCNH2FABP3 | |
| SCHEMBL22365614 | 0.68 | MEN1 (0.47) | MAPTALDH1A1MEN1KMT2AHPGD | |
| SCHEMBL17151370 | 0.67 | HCRTR2 (0.38) | ALDH1A1HPGDPOLB | |
| SCHEMBL23616122 | 0.65 | MEN1 (0.51) | GAAMAPTALDH1A1RAB9ANPC1 |
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-3287454-B1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2020-09-02 | — | — | EP | disclosed |