Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | EIF4E | P06730 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12628086 | 0.76 | GRM2 (0.41) | ALDH1A1KDM4ECTSLCTSSCTSK | |
| SCHEMBL2599803 | 0.75 | CTSL (0.53) | ALDH1A1CTSLCTSSCTSKLMNA | |
| SCHEMBL2599721 | 0.75 | FFAR4 (0.42) | GAACTSLCTSSCTSKLMNA | |
| SCHEMBL459167 | 0.74 | SRC (0.47) | ALDH1A1KDM4EGAASRCERN1 | |
| SCHEMBL17586863 | 0.74 | NFE2L2 (0.48) | ALDH1A1KDM4EGAALMNASRC | |
| SCHEMBL364414 | 0.74 | NFE2L2 (0.48) | ALDH1A1KDM4EGAALMNASRC | |
| SCHEMBL29937373 | 0.74 | NFE2L2 (0.48) | ALDH1A1KDM4EGAALMNASRC | |
| SCHEMBL4851355 | 0.73 | ELANE (0.48) | ALDH1A1KDM4EGAALMNACYP2C9 | |
| SCHEMBL28195990 | 0.72 | GRM2 (0.47) | ALDH1A1KDM4EGAAGRM2PTGS2 | |
| SCHEMBL745181 | 0.71 | ERN1 (0.46) | ALDH1A1CTSLCTSSCTSKLMNA |
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-2571356-A1 | SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2013-03-27 | — | — | EP | disclosed |
| WO-2011146324-A1 | SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-11-24 | — | — | WO | disclosed |