Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | BCL2 | P10415 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 12/20 | 0.39 |
| ▸ | TMPRSS6 | Q8IU80 | 8/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | EEF2K | O00418 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7377408 | 0.95 | ABCB1 (0.41) | ABCB1BCL2CA2CA9ALDH1A1 | |
| SCHEMBL7414276 | 0.81 | ABCB1 (0.43) | ABCB1BCL2CA2CA9ALDH1A1 | |
| SCHEMBL7372171 | 0.80 | ALDH1A1 (0.44) | ALDH1A1MAPT | |
| Trifluoroacetic Acid SCHEMBL7998507 | 0.77 | ITGB3 (0.45) | F2TMPRSS6ALDH1A1MAPT | |
| SCHEMBL7379287 | 0.76 | CASP1 (0.48) | ABCB1BCL2CA2CA9ALDH1A1 | |
| SCHEMBL6504669 | 0.76 | SLC1A2 (0.47) | ABCB1CA2CA9ALDH1A1MAPT | |
| SCHEMBL8493227 | 0.73 | CTSS (0.41) | ABCB1BCL2CA2ALDH1A1EEF2K | |
| SCHEMBL6502448 | 0.72 | ABCB1 (0.35) | ABCB1BCL2CA2CA9F2 | |
| SCHEMBL7377406 | 0.70 | ITGB3 (0.48) | ALDH1A1MAPT | |
| SCHEMBL383059 | 0.70 | ITGB3 (0.43) | BCL2ALDH1A1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6294549-B1 | COMPOUNDS USEFUL FOR INHIBITING RESTENOSIS, ANGIOGENESIS, ATHEROSCLEROSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, INFLAMMATION OR TUMOR GROWTH. | MERCK & CO., INC. | 2001-09-25 | — | — | US | disclosed |
| US-5952306-A | INHIBITING THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS AND INHIBITING THE AGGREGATION OF BLOOD PLATELETS; INHIBITING OSTEOCLAST CELLULAR ADHESION TO BONE SURFACES | MERCK & CO., INC. (US) | 1999-09-14 | — | — | US | disclosed |