Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 7/20 | 0.43 |
| ▸ | ITGAV | P06756 | 6/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | CTSA | P10619 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | F10 | P00742 | 1/20 | 0.35 |
| ▸ | PYGL | P06737 | 2/20 | 0.34 |
| ▸ | FADS1 | O60427 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7104747 | 0.91 | CTSA (0.42) | ITGB3ITGAVCTSAKDM4EITGA2B | |
| SCHEMBL7099303 | 0.89 | KDM4E (0.43) | ITGB3ITGAVCTSAKDM4EITGA2B | |
| SCHEMBL7100980 | 0.84 | ITGB3 (0.42) | ITGB3ITGAVKDM4EITGA2BRECQL | |
| SCHEMBL7104882 | 0.82 | ITGB3 (0.51) | ITGB3ITGAVITGA2BALDH1A1HPGD | |
| SCHEMBL7103717 | 0.80 | ITGB3 (0.46) | ITGB3ITGAVCTSAKDM4EITGA2B | |
| SCHEMBL7104753 | 0.74 | ITGB3 (0.51) | ITGB3ITGAVCTSAITGA2BMEN1 | |
| SCHEMBL7099306 | 0.73 | ITGB3 (0.51) | ITGB3ITGAVITGA2BMEN1KMT2A | |
| SCHEMBL7261894 | 0.70 | S1PR3 (0.46) | ITGB3ITGAVCTSAKDM4EITGA2B | |
| SCHEMBL7261904 | 0.70 | KMT2A (0.41) | ITGB3ITGAVCTSAITGA2BKMT2A | |
| SCHEMBL7099324 | 0.69 | ITGB3 (0.41) | ITGB3ITGAVITGA2BALDH1A1 |
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 |