Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CTSA | P10619 | 4/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.39 |
| ▸ | ITGAV | P06756 | 2/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.39 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.39 |
| ▸ | UBE2N | P61088 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | FDFT1 | P37268 | 1/20 | 0.36 |
| ▸ | GABBR2 | O75899 | 3/20 | 0.36 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL7100320 | 0.91 | LMNA (0.42) | CTSAITGB3ITGAVITGA2BLMNA | |
| SCHEMBL7102252 | 0.81 | ITGB3 (0.39) | KMT2ACTSAITGB3ITGAVITGA2B | |
| SCHEMBL7261894 | 0.80 | S1PR3 (0.46) | KMT2ACTSAITGB3ITGAVITGA2B | |
| SCHEMBL7103319 | 0.78 | ITGB3 (0.46) | KMT2ACTSAITGB3ITGAVITGA2B | |
| SCHEMBL7104747 | 0.74 | CTSA (0.42) | KMT2ACTSAITGB3ITGAVITGA2B | |
| SCHEMBL7261904 | 0.74 | KMT2A (0.41) | KMT2ACTSAITGB3ITGAVITGA2B | |
| SCHEMBL7099318 | 0.73 | ITGB3 (0.42) | CTSAITGB3ITGAVITGA2B | |
| SCHEMBL7104753 | 0.72 | ITGB3 (0.51) | KMT2ACTSAITGB3ITGAVITGA2B | |
| SCHEMBL7100316 | 0.71 | ITGB3 (0.39) | ITGB3ITGAVITGA2BCYP2C9CYP3A4 | |
| SCHEMBL17234339 | 0.69 | ITGB3 (0.38) | ITGB3ITGA2BLMNAEGLN2EGLN1 |
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-6649613-B1 | Integrin inhibitors | MERCK PATENT GMBH (DE) | 2003-11-18 | — | — | US | disclosed |
| EP-1194401-B1 | DIACYLHYDRAZINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2003-09-10 | — | — | EP | disclosed |