Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.40 |
| ▸ | GPR119 | Q8TDV5 | 4/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 3/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13620559 | 0.93 | TLR9 (0.40) | TLR9GPR119HDAC6HDAC3HDAC1 | |
| SCHEMBL4057037 | 0.77 | HDAC6 (0.41) | TLR9GPR119HDAC6HDAC3HDAC1 | |
| SCHEMBL4051906 | 0.76 | VSIR (0.50) | TLR9GPR119HDAC6HDAC3HDAC1 | |
| SCHEMBL4059341 | 0.76 | GPR119 (0.43) | TLR9GPR119ESR1ESR2KDM4E | |
| SCHEMBL4050496 | 0.70 | VSIR (0.53) | TLR9GPR119HDAC6HDAC3HDAC1 | |
| SCHEMBL4057433 | 0.68 | S1PR1 (0.43) | TLR9HDAC6HDAC3HDAC1HDAC2 | |
| SCHEMBL13620467 | 0.68 | NFE2L2 (0.39) | GPR119HDAC6KDM4EMEN1NPC1 | |
| SCHEMBL24038196 | 0.68 | ESR1 (0.46) | TLR9GPR119HDAC6HDAC3HDAC1 | |
| SCHEMBL4054203 | 0.68 | GPR119 (0.49) | TLR9GPR119ESR1ESR2MAPT | |
| SCHEMBL18935939 | 0.67 | TLR9 (0.55) | TLR9HDAC6HDAC3HDAC1HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7622479-B2 | Bicyclic derivative, its production and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-11-24 | — | — | US | disclosed |