Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.41 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.39 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 7/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7927004 | 0.95 | MAOB (0.43) | NPC1PSMB5ALDH2MAOAMAOB | |
| SCHEMBL1390488 | 0.89 | ACACB (0.47) | NPC1PSMB5ALDH2MAOAMAOB | |
| SCHEMBL7929108 | 0.86 | KMT2A (0.40) | NPC1ALDH2MAOAMAOBMTNR1A | |
| SCHEMBL7921607 | 0.85 | MAOB (0.40) | NPC1ALDH2MAOAMAOBMTNR1A | |
| SCHEMBL1390694 | 0.84 | MTNR1A (0.47) | NPC1PSMB5ALDH2MAOAMAOB | |
| SCHEMBL7922328 | 0.84 | PPARD (0.36) | ALDH2MAOAMAOBMTNR1AMAPT | |
| SCHEMBL1391092 | 0.83 | MAOA (0.44) | NPC1PSMB5ALDH2MAOAMAOB | |
| SCHEMBL1390614 | 0.76 | ACACB (0.47) | NPC1MTNR1ASMN1; SMN2ACACBMAPT | |
| SCHEMBL7924953 | 0.76 | NPC1 (0.39) | NPC1MAOBACACBMAPTPPARD | |
| SCHEMBL15159372 | 0.76 | MAOA (0.38) | NPC1PSMB5ALDH2MAOAMAOB |
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-2010050445-A1 | BICYCLIC COMPOUND | 武田薬品工業株式会社 (JP) | 2010-05-06 | — | — | WO | disclosed |