Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.75 |
| ▸ | TP53 | P04637 | 1/20 | 0.62 |
| ▸ | CA1 | P00915 | 1/20 | 0.58 |
| ▸ | CA9 | Q16790 | 1/20 | 0.58 |
| ▸ | MAOA | P21397 | 1/20 | 0.58 |
| ▸ | MAOB | P27338 | 1/20 | 0.58 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | MPO | P05164 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL2992964 | 0.86 | ALDH1A1 (1.00) | ALDH1A1TP53CA1CA9MAOA | |
| SCHEMBL28791700 | 0.82 | ALDH1A1 (0.67) | ALDH1A1TP53CA1CA9MAOA | |
| SCHEMBL2988323 | 0.80 | ALDH1A1 (0.86) | ALDH1A1TP53CA1CA9MAOA | |
| SCHEMBL3003252 | 0.79 | ALDH1A1 (0.69) | ALDH1A1TP53CA1CA9MAOA | |
| SCHEMBL25738324 | 0.78 | ALDH1A1 (0.75) | ALDH1A1TP53CA1CA9MAOA | |
| SCHEMBL2995413 | 0.78 | ALDH1A1 (0.75) | ALDH1A1TP53CA1CA9MAOA | |
| SCHEMBL27895863 | 0.78 | ALDH1A1 (0.75) | ALDH1A1TP53CA1CA9MAOA | |
| SCHEMBL2986200 | 0.78 | ALDH1A1 (0.83) | ALDH1A1TP53CA1CA9MAOA | |
| SCHEMBL3000231 | 0.78 | ALDH1A1 (0.83) | ALDH1A1TP53CA1CA9MAOA | |
| SCHEMBL3935111 | 0.77 | ALDH1A1 (0.79) | ALDH1A1TP53CA1CA9MAOA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101723941-A | “1,2,4” oxadiazole as a metabotropic glutamate receptor-5 modulator | ASTRAZENECA AB | 2010-06-09 | — | — | CN | disclosed |
| CN-101096368-A | Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists | NPS PHARMA INC (SE) | 2008-01-02 | — | — | CN | disclosed |
| CN-1984907-A | Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists | ASTRAZENECA AB (SE) | 2007-06-20 | — | — | CN | disclosed |
| CN-1894241-A | \"1, 2, 4\" oxadiazoles as modulators of metabotropic glutamate receptor-5 | ASTRAZENECA AB (SE) | 2007-01-10 | — | — | CN | disclosed |