Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 1/20 | 0.36 |
| ▸ | GPBAR1 | Q8TDU6 | 8/20 | 0.36 |
| ▸ | TPMT | P51580 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | KMO | O15229 | 1/20 | 0.32 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14743988 | 0.87 | HTT (0.39) | ACLYGPBAR1NPC1ALDH1A1MAPT | |
| SCHEMBL14743489 | 0.87 | GAA (0.41) | ACLYGPBAR1TP53NPC1RAB9A | |
| SCHEMBL14743723 | 0.84 | KDM4E (0.47) | ACLYGPBAR1 | |
| SCHEMBL14743590 | 0.84 | GPBAR1 (0.40) | GPBAR1ALDH1A1 | |
| SCHEMBL14744302 | 0.84 | ACLY (0.46) | ACLYGPBAR1TPMTTP53NPC1 | |
| SCHEMBL14743375 | 0.83 | GPBAR1 (0.39) | ACLYGPBAR1 | |
| SCHEMBL14743638 | 0.83 | CYP1A2 (0.35) | ACLYGPBAR1TPMTALDH1A1MAPT | |
| SCHEMBL14743263 | 0.82 | KDM4E (0.38) | ACLYGPBAR1TPMTNR1H4NPC1 | |
| SCHEMBL14743805 | 0.81 | GPBAR1 (0.43) | GPBAR1NPC1ALDH1A1HTTRAB9A | |
| SCHEMBL14743703 | 0.81 | ACLY (0.35) | ACLYGPBAR1NR1H4NPC1ALDH1A1 |
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-2013030358-A1 | GLYCINE B ANTAGONISTS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2013-03-07 | — | — | WO | disclosed |