Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPH1 | P17752 | 11/20 | 0.52 |
| ▸ | SLC7A5 | Q01650 | 3/20 | 0.50 |
| ▸ | ITGB1 | P05556 | 6/20 | 0.49 |
| ▸ | ITGA4 | P13612 | 6/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.49 |
| ▸ | ALPI | P09923 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | XIAP | P98170 | 1/20 | 0.49 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5162726 | 0.92 | ITGB1 (0.56) | TPH1SLC7A5ITGB1ITGA4PTGS1 | |
| SCHEMBL7227087 | 0.92 | ITGB1 (0.56) | TPH1SLC7A5ITGB1ITGA4PTGS1 | |
| Hydrochloric Acid SCHEMBL5159881 | 0.91 | ITGB1 (0.55) | TPH1SLC7A5ITGB1ITGA4PTGS1 | |
| SCHEMBL22190038 | 0.86 | ITGB1 (0.55) | TPH1SLC7A5ITGB1ITGA4PTGS1 | |
| SCHEMBL22190039 | 0.86 | ITGB1 (0.55) | TPH1SLC7A5ITGB1ITGA4PTGS1 | |
| SCHEMBL7358780 | 0.86 | ITGB1 (0.48) | TPH1SLC7A5ITGB1ITGA4PTGS1 | |
| SCHEMBL7314954 | 0.84 | ITGB1 (0.47) | TPH1SLC7A5ITGB1ITGA4PTGS1 | |
| SCHEMBL7321702 | 0.83 | ITGA4 (0.46) | TPH1SLC7A5ITGB1ITGA4PTGS1 | |
| Tyrosine SCHEMBL28331379 | 0.82 | SLC7A5 (0.65) | TPH1SLC7A5PTGS1ALPIPKM | |
| SCHEMBL5213839 | 0.80 | PPARG (0.63) | TPH1SLC7A5ITGB1ITGA4PTGS1 |
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 |