Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 4/20 | 0.61 |
| ▸ | MAOB | P27338 | 1/20 | 0.56 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL186785 | 0.94 | BCHE (0.67) | BCHEOPRK1MEN1TSHRKMT2A | |
| Hydrochloric Acid SCHEMBL22587709 | 0.93 | BCHE (0.65) | BCHEOPRK1MEN1TSHRKMT2A | |
| SCHEMBL29132426 | 0.89 | BCHE (0.70) | BCHEMAOBGAA | |
| SCHEMBL29132428 | 0.89 | BCHE (0.70) | BCHEMAOBGAA | |
| SCHEMBL28412274 | 0.86 | BCHE (0.58) | BCHEMAOBOPRK1NPC1RAB9A | |
| SCHEMBL22721874 | 0.86 | BCHE (0.58) | BCHEMAOBOPRK1NPC1RAB9A | |
| SCHEMBL28408852 | 0.86 | BCHE (0.58) | BCHEMAOBOPRK1NPC1RAB9A | |
| SCHEMBL8313882 | 0.83 | BCHE (0.70) | BCHEOPRK1MEN1TSHRKMT2A | |
| SCHEMBL28647437 | 0.82 | BCHE (0.51) | BCHEOPRK1MEN1KMT2ANPC1 | |
| SCHEMBL28388774 | 0.82 | ADRB2 (0.59) | GAA |
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-2247588-A2 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2010-11-10 | — | — | EP | disclosed |
| WO-2009107850-A2 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-09-03 | — | — | WO | disclosed |