Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 6/20 | 0.42 |
| ▸ | RAB9A | P51151 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 4/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | 0.72 | SMN1; SMN2 (0.47) | SMN1; SMN2NPC1RAB9AALDH1A1TP53 | |
| SCHEMBL4543227 | 0.69 | USP30 (0.53) | SMN1; SMN2NPC1RAB9AALDH1A1USP30 | |
| SCHEMBL5485310 | 0.67 | USP30 (0.68) | SMN1; SMN2NPC1RAB9AALDH1A1USP30 | |
| SCHEMBL4101819 | 0.67 | SMN1; SMN2 (0.48) | SMN1; SMN2NPC1RAB9AALDH1A1TP53 | |
| SCHEMBL2890386 | 0.67 | USP30 (0.64) | SMN1; SMN2NPC1RAB9AALDH1A1USP30 | |
| SCHEMBL2890390 | 0.67 | USP30 (0.64) | SMN1; SMN2NPC1RAB9AALDH1A1USP30 | |
| SCHEMBL5478169 | 0.66 | USP30 (0.56) | SMN1; SMN2NPC1RAB9AALDH1A1USP30 | |
| SCHEMBL4758949 | 0.65 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1RAB9AALDH1A1TP53 | |
| SCHEMBL20359697 | 0.65 | USP30 (0.77) | SMN1; SMN2NPC1RAB9AALDH1A1USP30 | |
| SCHEMBL20359698 | 0.65 | USP30 (0.77) | SMN1; SMN2NPC1RAB9AALDH1A1USP30 |
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 |