Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNK3 | O14649 | 1/20 | 0.47 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.47 |
| ▸ | FABP3 | P05413 | 1/20 | 0.43 |
| ▸ | FABP4 | P15090 | 1/20 | 0.43 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | HTR7 | P34969 | 2/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.39 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL355567 | 0.84 | CA1 (0.57) | FABP3FABP4FABP5ARCA12 | |
| Phosphine SCHEMBL27891320 | 0.82 | CA1 (0.55) | FABP3FABP4FABP5ARCA12 | |
| Benzene SCHEMBL28977457 | 0.82 | CA1 (0.55) | FABP3FABP4FABP5ARCA12 | |
| Water SCHEMBL28136778 | 0.82 | CA1 (0.55) | FABP3FABP4FABP5ARCA12 | |
| Hydrochloric Acid SCHEMBL30310852 | 0.82 | CA1 (0.55) | FABP3FABP4FABP5ARCA12 | |
| SCHEMBL29217584 | 0.79 | FABP4 (0.53) | FABP3FABP4FABP5ARCA12 | |
| SCHEMBL8592250 | 0.79 | CA1 (0.50) | FABP3FABP4FABP5CA12CA1 | |
| SCHEMBL29435933 | 0.78 | CA1 (0.62) | KCNK3KCNK9PDK2CA12CA1 | |
| SCHEMBL625622 | 0.78 | CA1 (0.62) | KCNK3KCNK9PDK2CA12CA1 | |
| SCHEMBL1043306 | 0.78 | GRIA1 (0.41) | KCNK3KCNK9PTPN5SCN9A |
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-6645939-B1 | Very late antigen-4 (VLA) integrin antagonists; antiallergens, antiasthmatics, and antiinflammatory agents; multiple sclerosis, autoimmune disease treatment | MERCK & CO., INC. | 2003-11-11 | — | — | US | disclosed |