Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 5/20 | 0.51 |
| ▸ | ITGAV | P06756 | 5/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | BCHE | P06276 | 2/20 | 0.42 |
| ▸ | TRPC3 | Q13507 | 1/20 | 0.42 |
| ▸ | TRPC4 | Q9UBN4 | 1/20 | 0.42 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.38 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.38 |
| ▸ | ITGB8 | P26012 | 1/20 | 0.38 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.38 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6440635 | 0.82 | ITGB3 (0.55) | ITGB3ITGAVKCNH2BCHETRPC3 | |
| SCHEMBL6427265 | 0.80 | ITGB3 (0.49) | ITGB3ITGAVKCNH2BCHETRPC3 | |
| SCHEMBL5025679 | 0.79 | ITGB3 (0.61) | ITGB3ITGAVITGA2BITGB5 | |
| SCHEMBL6424626 | 0.76 | ITGB3 (0.59) | ITGB3ITGAVKCNH2BCHETRPC3 | |
| SCHEMBL6440900 | 0.73 | ITGB3 (0.49) | ITGB3ITGAVKCNH2BCHETRPC3 | |
| SCHEMBL6438902 | 0.72 | ITGB3 (0.57) | ITGB3ITGAVKCNH2BCHETRPC3 | |
| SCHEMBL6440629 | 0.71 | ITGB3 (0.56) | ITGB3ITGAVKCNH2BCHETRPC3 | |
| SCHEMBL7032628 | 0.71 | ITGB3 (0.72) | ITGB3ITGAVITGA2BITGB5 | |
| SCHEMBL5025483 | 0.69 | ITGB3 (0.41) | ITGB3ITGAVKCNH2BCHETRPC3 | |
| SCHEMBL5024060 | 0.68 | ITGB3 (0.73) | ITGB3ITGAVITGA2BITGB5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1286673-B8 | LIGANDS OF INTEGRIN RECEPTORS | ABBOTT GMBH & CO KG (DE) | 2005-07-20 | — | — | EP | disclosed |
| EP-1286673-A2 | LIGANDS OF INTEGRIN RECEPTORS | Basf Aktiengesellschaft (DE) | 2003-03-05 | — | — | EP | disclosed |
| WO-2001093840-A2 | LIGANDS OF INTEGRIN RECEPTORS | BASF AG (DE) | 2001-12-13 | — | — | WO | disclosed |