Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | SDHB | P21912 | 1/20 | 0.35 |
| ▸ | RARG | P13631 | 1/20 | 0.35 |
| ▸ | ATR | Q13535 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8917806 | 0.91 | CA1 (0.47) | LCKPTGS2CA1CA2CA4 | |
| SCHEMBL8917212 | 0.89 | PTGS2 (0.42) | PTGS2ALDH1A1KDM4EAOC3RARG | |
| SCHEMBL8916655 | 0.84 | CYP1A2 (0.43) | LCKPTGS2ALDH1A1KDM4ENPC1 | |
| SCHEMBL8918829 | 0.83 | PTGS2 (0.43) | PTGS2CA1CA2CA9PTGS1 | |
| SCHEMBL8917466 | 0.83 | PTGS2 (0.41) | PTGS2AOC3PTGS1 | |
| SCHEMBL8917301 | 0.83 | PTGS2 (0.45) | PTGS2PTGS1 | |
| SCHEMBL8916673 | 0.82 | PTGS2 (0.44) | PTGS2AOC3PTGS1TDO2 | |
| SCHEMBL8916712 | 0.81 | PTGS2 (0.41) | PTGS2PTGS1 | |
| SCHEMBL8919630 | 0.81 | PTGS2 (0.44) | PTGS2PTGS1 | |
| SCHEMBL8917343 | 0.81 | PTGS2 (0.41) | PTGS2PTGS1 |
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-5696143-A | ARTHRITIS THERAPY | G.D. SEARLE & CO. | 1997-12-09 | — | — | US | disclosed |