Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGK1 | P00558 | 2/20 | 0.39 |
| ▸ | PGK2 | P07205 | 2/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | RET | P07949 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MDM4 | O15151 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8897527 | 0.90 | HDAC4 (0.37) | PGK1PGK2P2RX7KDM4EMDM4 | |
| SCHEMBL1539046 | 0.88 | PGK1 (0.38) | PGK1PGK2P2RX7KDM4EMDM4 | |
| SCHEMBL1538725 | 0.84 | PGK1 (0.48) | PGK1PGK2NOTUMKIF11DAO | |
| SCHEMBL28434776 | 0.83 | HDAC4 (0.47) | NOTUMKIF11KDM4EMDM4ALDH1A1 | |
| SCHEMBL7962498 | 0.83 | PGK1 (0.40) | PGK1PGK2NOTUMKIF11DAO | |
| SCHEMBL12028994 | 0.80 | HDAC4 (0.48) | PGK1PGK2NOTUMKIF11KDM4E | |
| SCHEMBL508509 | 0.79 | ACHE (0.44) | HDAC4 | |
| SCHEMBL30076024 | 0.79 | ACHE (0.44) | HDAC4 | |
| SCHEMBL27700785 | 0.77 | TRPV4 (0.33) | NOTUMKIF11DAO | |
| SCHEMBL25091414 | 0.76 | PGK1 (0.39) | PGK1PGK2NOTUMKIF11RET |
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 |
|---|---|---|---|---|---|---|---|
| CN-105555783-A | Autotaxin inhibitors comprising a heteroaromatic ring-benzyl-amide-cycle core | NOVARTIS AG | 2016-05-04 | — | — | CN | disclosed |
| CN-105073744-A | Novel heterocyclic compounds as bromodomain inhibitors | RVX THERAPEUTICS INC | 2015-11-18 | — | — | CN | disclosed |