Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2075856 | 0.92 | PTGS2 (0.33) | PTGS2CTSSCTSKLMNAGAA | |
| SCHEMBL1003620 | 0.71 | ALDH1A1 (0.41) | PTGS2LMNAGAANPSR1L3MBTL1 | |
| SCHEMBL2076144 | 0.69 | HDAC1 (0.36) | PTGS2CTSSCTSKLMNAGAA | |
| SCHEMBL20141700 | 0.66 | KDM4E (0.36) | GAANPSR1L3MBTL1ALDH1A1KDM4E | |
| SCHEMBL4131647 | 0.63 | NR1H2 (0.42) | LMNAL3MBTL1KDM4E | |
| SCHEMBL4610689 | 0.63 | FPR2 (0.38) | LMNAGAAALDH1A1KDM4E | |
| SCHEMBL5533824 | 0.62 | MTNR1A (0.46) | CTSSCTSKLMNAL3MBTL1ALDH1A1 | |
| SCHEMBL15270503 | 0.60 | CACNA1B (0.42) | CTSSCTSKLMNAALDH1A1KDM4E | |
| SCHEMBL31048202 | 0.60 | L3MBTL1 (0.44) | CTSSCTSKLMNAL3MBTL1ALDH1A1 | |
| SCHEMBL28797147 | 0.60 | SMN1; SMN2 (0.43) | CTSSCTSKLMNAL3MBTL1ALDH1A1 |
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-2011011330-A2 | INHIBITORS OF D-AMINO ACID OXIDASE | SEPRACOR INC. (US) | 2011-01-27 | — | — | WO | disclosed |