Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 10/20 | 0.46 |
| ▸ | ITGB1 | P05556 | 9/20 | 0.46 |
| ▸ | TPH1 | P17752 | 6/20 | 0.46 |
| ▸ | CTSA | P10619 | 3/20 | 0.46 |
| ▸ | ITGB7 | P26010 | 4/20 | 0.45 |
| ▸ | ALPI | P09923 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | XIAP | P98170 | 1/20 | 0.44 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7227087 | 0.88 | ITGB1 (0.56) | ITGA4ITGB1TPH1ITGB7ALPI | |
| SCHEMBL5162726 | 0.88 | ITGB1 (0.56) | ITGA4ITGB1TPH1ITGB7ALPI | |
| Hydrochloric Acid SCHEMBL5159881 | 0.86 | ITGB1 (0.55) | ITGA4ITGB1TPH1ITGB7ALPI | |
| SCHEMBL7316787 | 0.83 | TPH1 (0.52) | ITGA4ITGB1TPH1ITGB7ALPI | |
| SCHEMBL7358780 | 0.82 | ITGB1 (0.48) | ITGA4ITGB1TPH1ITGB7ALPI | |
| SCHEMBL22190039 | 0.82 | ITGB1 (0.55) | ITGA4ITGB1TPH1ITGB7ALPI | |
| SCHEMBL22190038 | 0.82 | ITGB1 (0.55) | ITGA4ITGB1TPH1ITGB7ALPI | |
| SCHEMBL7314954 | 0.80 | ITGB1 (0.47) | ITGA4ITGB1TPH1ITGB7ALPI | |
| SCHEMBL2058831 | 0.76 | ALDH1A1 (0.52) | ITGA4ITGB1ITGB7 | |
| SCHEMBL5213839 | 0.76 | PPARG (0.63) | ITGA4ITGB1TPH1ITGB7ALPI |
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-6403584-B1 | CONJUNCTIVITIS, ALLERGIC RHINITIS, ALZHEIMER'S DISEASE, ASTHMA, ATHEROSCLEROSIS, AUTOLOGOUS BONE MARROW TRANSPLANTATION, ANTIINFLAMMATORY, ETC | MERCK & CO., INC. | 2002-06-11 | — | — | US | disclosed |