Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 11/20 | 0.65 |
| ▸ | ITGAV | P06756 | 11/20 | 0.65 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.53 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.53 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.51 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.51 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.51 |
| ▸ | GABBR2 | O75899 | 3/20 | 0.50 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6941043 | 0.81 | ITGB3 (0.54) | ITGB3ITGAVITGA2BS1PR1S1PR3 | |
| SCHEMBL9566716 | 0.78 | CYP2D6 (0.77) | ITGB3ITGAVITGA2BS1PR1S1PR3 | |
| SCHEMBL5517106 | 0.75 | CYP2D6 (0.55) | ITGB3ITGAVITGA2BCYP2D6ITGB1 | |
| SCHEMBL391659 | 0.73 | GABBR2 (0.79) | CYP2D6GABBR2GABBR1LMNACYP2C9 | |
| SCHEMBL7995264 | 0.73 | GABBR2 (0.63) | CYP2D6GABBR2GABBR1LMNACYP2C9 | |
| SCHEMBL824927 | 0.73 | GABBR2 (0.63) | ITGB3ITGAVITGA2BCYP2D6GABBR2 | |
| SCHEMBL5717689 | 0.73 | ITGB3 (0.63) | ITGB3ITGAVITGA2BITGB1ITGB5 | |
| SCHEMBL7878249 | 0.72 | FFAR2 (0.54) | CYP2D6GABBR2GABBR1LMNACYP2C9 | |
| SCHEMBL28014207 | 0.72 | GABBR2 (0.76) | CYP2D6GABBR2GABBR1LMNACYP2C9 | |
| SCHEMBL15208481 | 0.72 | CYP2D6 (0.58) | ITGB3ITGAVCYP2D6KMT2AADORA3 |
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-6326403-B1 | CARDIOVASCULAR DISORDERS | MERCK PATENT GESELLSCHAFT MIT (DE) | 2001-12-04 | — | — | US | disclosed |
| CN-1309633-A | Diacylhydrazine derivatives as integrin inhibitors | MERCK PATENT GMBH (DE) | 2001-08-22 | — | — | CN | disclosed |