Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1003642 | 0.81 | NR1H2 (0.41) | ALDH1A1KDM4EGABRG2GABRB3 | |
| SCHEMBL1006400 | 0.75 | ACHE (0.38) | ALDH1A1KDM4ESMN1; SMN2NPSR1HPGD | |
| SCHEMBL2775811 | 0.69 | OPRM1 (0.46) | ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL16237303 | 0.68 | TSHR (0.46) | ALDH1A1KDM4ESMN1; SMN2NPSR1ATM | |
| SCHEMBL1007352 | 0.67 | ACHE (0.42) | TSHR | |
| SCHEMBL30990225 | 0.63 | NR1H2 (0.41) | KDM4ENPC1 | |
| SCHEMBL30990201 | 0.63 | NR1H2 (0.41) | KDM4ENPC1 | |
| SCHEMBL23174927 | 0.63 | BRD4 (0.49) | NPSR1NPC1L3MBTL1TP53TSHR | |
| SCHEMBL21423952 | 0.63 | L3MBTL1 (0.57) | ALDH1A1KDM4ESMN1; SMN2NPSR1HPGD | |
| SCHEMBL18990255 | 0.61 | ALDH1A1 (0.38) | ALDH1A1KDM4ESMN1; SMN2HPGDCYP1A2 |
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 |