Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TYK2 | P29597 | 3/20 | 0.36 |
| ▸ | JAK2 | O60674 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17849202 | 0.91 | SMN1; SMN2 (0.44) | ALDH1A1HPGDKDM4EHSD17B10NPC1 | |
| SCHEMBL16623587 | 0.85 | ROCK1 (0.39) | ALDH1A1HPGDKDM4ENPC1RAB9A | |
| SCHEMBL17849203 | 0.84 | ROCK1 (0.40) | ALDH1A1HPGDKDM4ENPC1RAB9A | |
| SCHEMBL17849214 | 0.84 | TYK2 (0.38) | ALDH1A1HPGDKDM4EHSD17B10NPC1 | |
| SCHEMBL17849189 | 0.79 | RAB9A (0.45) | ALDH1A1HPGDKDM4ENPC1RAB9A | |
| SCHEMBL17849219 | 0.77 | RAF1 (0.42) | ALDH1A1HPGDKDM4ENPC1RAB9A | |
| SCHEMBL17849217 | 0.76 | DGAT1 (0.33) | ALDH1A1KDM4EMAPK1MAPTMEN1 | |
| SCHEMBL17849200 | 0.76 | CYP2A13 (0.39) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPK7 | |
| SCHEMBL17849207 | 0.75 | ROCK1 (0.39) | ALDH1A1HPGDKDM4EHSD17B10NPC1 | |
| SCHEMBL17849192 | 0.75 | RIPK1 (0.37) | HPGDKDM4ERAB9ASMN1; SMN2MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9371320-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-06-21 | — | — | US | disclosed |
| US-9371320-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-06-21 | — | — | US | disclosed |