Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 5/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.39 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.39 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL623871 | 0.92 | NPC1 (0.45) | RAB9ANPC1MAOBSMN1; SMN2ALDH1A1 | |
| SCHEMBL9037844 | 0.79 | LTA4H (0.50) | RAB9ANPC1MAOBBACE1SMN1; SMN2 | |
| SCHEMBL623669 | 0.78 | FFAR1 (0.43) | RAB9ANPC1BACE1HTTFFAR1 | |
| SCHEMBL623870 | 0.77 | ALDH1A1 (0.44) | RAB9ANPC1SMN1; SMN2FFAR1FFAR4 | |
| SCHEMBL2384178 | 0.77 | BACE1 (0.51) | MAOBBACE1LTA4HMAPK14 | |
| SCHEMBL16093378 | 0.77 | ALDH1A1 (0.56) | RAB9ANPC1MAOBSMN1; SMN2ALDH1A1 | |
| SCHEMBL9391710 | 0.76 | NPC1 (0.60) | RAB9ANPC1MAOBBACE1DHFR | |
| SCHEMBL2292282 | 0.74 | FFAR4 (0.65) | MAOBFFAR1FFAR4 | |
| SCHEMBL16440937 | 0.73 | APP (0.56) | MAOBFFAR1LTA4H | |
| SCHEMBL18938018 | 0.73 | MAPK1 (0.56) | RAB9ANPC1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2603513-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2013-06-19 | — | — | EP | disclosed |
| WO-2012020848-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-02-16 | — | — | WO | disclosed |