Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 6/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.44 |
| ▸ | CDK2 | P24941 | 4/20 | 0.44 |
| ▸ | CDK1 | P06493 | 2/20 | 0.44 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | TNF | P01375 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.42 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4512852 | 0.92 | KHK (0.55) | KHKTP53ALDH1A1HPGDHTT | |
| SCHEMBL4521006 | 0.86 | KHK (0.58) | KHKNR3C1ALDH1A1HPGDHTT | |
| SCHEMBL4522989 | 0.86 | KHK (0.60) | KHKTP53ALDH1A1HPGDHTT | |
| SCHEMBL4511884 | 0.83 | KHK (0.54) | KHKALDH1A1HPGDHTTCCNE1 | |
| SCHEMBL4505301 | 0.82 | KHK (0.54) | KHKTP53NR3C1HPGDCCNE1 | |
| SCHEMBL4522433 | 0.82 | KHK (0.53) | KHKTP53NR3C1CCNE1CDK2 | |
| SCHEMBL4507115 | 0.81 | KHK (0.63) | KHKNR3C1ALDH1A1HPGDHTT | |
| SCHEMBL13865810 | 0.79 | KHK (0.51) | KHKNR3C1ALDH1A1HPGDHTT | |
| SCHEMBL4502264 | 0.78 | KHK (0.59) | KHKALDH1A1HPGDHTTCCNE1 | |
| SCHEMBL4500604 | 0.78 | KHK (0.48) | KHKTP53ALDH1A1HPGDHTT |
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-2008055959-A1 | NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES | GALAPAGOS N.V. (BE) | 2008-05-15 | — | — | WO | disclosed |