Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 6/20 | 0.45 |
| ▸ | RAB9A | P51151 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 4/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL4101846 | 0.82 | SMN1; SMN2 (0.47) | SMN1; SMN2NPC1RAB9AALDH1A1TP53 | |
| SCHEMBL4097252 | 0.82 | SMN1; SMN2 (0.43) | SMN1; SMN2NPC1RAB9AALDH1A1TP53 | |
| SCHEMBL4095445 | 0.81 | SMN1; SMN2 (0.42) | SMN1; SMN2NPC1RAB9AALDH1A1TP53 | |
| SCHEMBL4095448 | 0.81 | SMN1; SMN2 (0.42) | SMN1; SMN2NPC1RAB9AALDH1A1TP53 | |
| SCHEMBL13871111 | 0.80 | SMN1; SMN2 (0.41) | SMN1; SMN2NPC1RAB9AALDH1A1TP53 | |
| SCHEMBL4543227 | 0.79 | USP30 (0.53) | SMN1; SMN2NPC1RAB9AALDH1A1TP53 | |
| SCHEMBL4113254 | 0.75 | GRM5 (0.53) | SMN1; SMN2NPC1RAB9AALDH1A1TP53 | |
| SCHEMBL4101807 | 0.74 | SMN1; SMN2 (0.42) | SMN1; SMN2NPC1RAB9AALDH1A1TP53 | |
| SCHEMBL4109012 | 0.74 | GRM5 (0.54) | SMN1; SMN2NPC1RAB9AALDH1A1TP53 | |
| SCHEMBL4101794 | 0.70 | SMN1; SMN2 (0.43) | SMN1; SMN2NPC1RAB9AALDH1A1TP53 |
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-2009054791-A1 | FUSED PYRROLIDINE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 | ASTRAZENECA AB (SE) | 2009-04-30 | — | — | WO | claimed |