Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 14/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 8/20 | 0.43 |
| ▸ | ITGAV | P06756 | 8/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL7590553 | 0.89 | ITGB3 (0.52) | ITGB3ITGA2BITGAV | |
| Trifluoroacetic Acid SCHEMBL6424127 | 0.77 | ITGAV (0.72) | ITGB3ITGA2BITGAV | |
| Trifluoroacetic Acid SCHEMBL6424123 | 0.77 | ITGAV (0.72) | ITGB3ITGA2BITGAV | |
| Trifluoroacetic Acid SCHEMBL7590565 | 0.74 | ITGB3 (0.38) | ITGB3ITGA2BITGAVALDH1A1 | |
| SCHEMBL7596092 | 0.74 | ITGB3 (0.54) | ITGB3ITGA2BITGAV | |
| SCHEMBL7578474 | 0.70 | ITGB3 (0.46) | ITGB3ITGA2BITGAVKMT2ATSHR | |
| Trifluoroacetic Acid SCHEMBL7592202 | 0.69 | ITGB3 (0.42) | ITGB3ITGA2BITGAVKMT2ATSHR | |
| Hydrochloric Acid SCHEMBL7594982 | 0.67 | ITGAV (0.53) | ITGB3ITGAV | |
| SCHEMBL6424128 | 0.67 | ITGB3 (0.61) | ITGB3ITGAV | |
| Trifluoroacetic Acid SCHEMBL7654076 | 0.66 | SLC1A3 (0.54) | ITGB3ITGA2BKMT2ATSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1040098-A1 | INTEGRIN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (a New Jersey corp.) (US) | 2000-10-04 | — | — | EP | claimed |
| WO-1999031061-A1 | INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1999-06-24 | — | — | WO | claimed |