Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL19992531 | 0.78 | ALDH1A1 (0.51) | PKMGAARAB9AALDH1A1KDM4E | |
| SCHEMBL17224134 | 0.72 | GSK3B (0.45) | PKMRAB9AALDH1A1KDM4ETSHR | |
| SCHEMBL19404642 | 0.71 | ALDH1A1 (0.33) | RAB9AALDH1A1KDM4ENPC1HSD17B10 | |
| SCHEMBL1403879 | 0.68 | ALDH1A1 (0.40) | RAB9AALDH1A1KDM4ENPC1MAPT | |
| SCHEMBL15260359 | 0.67 | HTT (0.44) | RAB9AALDH1A1KDM4ENPC1MEN1 | |
| SCHEMBL17697619 | 0.67 | SMN1; SMN2 (0.43) | RAB9AALDH1A1KDM4ENPC1MAPT | |
| SCHEMBL5011310 | 0.67 | HCRTR1 (0.44) | RAB9AALDH1A1NPC1MAPTTP53 | |
| SCHEMBL1721213 | 0.66 | GBA1 (0.38) | RAB9AALDH1A1KDM4EHDAC4NPC1 | |
| SCHEMBL361106 | 0.65 | KDM4E (0.52) | PKMALDH1A1KDM4EPOLBHSD17B10 | |
| SCHEMBL21895324 | 0.65 | TSHR (0.34) | ALDH1A1MAPTPOLBTSHRSMN1; 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 |
|---|---|---|---|---|---|---|---|
| WO-2017164108-A1 | HETEROCYCLIC COMPOUND | 住友化学株式会社 | 2017-09-28 | — | — | WO | disclosed |