Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 12/20 | 0.61 |
| ▸ | ITGAV | P06756 | 12/20 | 0.61 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.49 |
| ▸ | ITGB5 | P18084 | 2/20 | 0.48 |
| ▸ | ITGB6 | P18564 | 2/20 | 0.48 |
| ▸ | GABBR2 | O75899 | 3/20 | 0.47 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | THRB | P10828 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7100423 | 0.90 | ITGB3 (0.61) | ITGB3ITGAVITGA2BITGB5ITGB6 | |
| SCHEMBL7100379 | 0.89 | ITGB3 (0.60) | ITGB3ITGAVITGA2BITGB5ITGB6 | |
| SCHEMBL7103319 | 0.79 | ITGB3 (0.46) | ITGB3ITGAVITGA2BITGB5ITGB6 | |
| SCHEMBL341098 | 0.77 | GABBR2 (0.60) | ITGB3ITGAVITGA2BGABBR2GABBR1 | |
| Hydrochloric Acid SCHEMBL7076939 | 0.76 | GABBR2 (0.59) | ITGB3ITGAVITGA2BGABBR2GABBR1 | |
| SCHEMBL7267221 | 0.74 | ITGB3 (0.86) | ITGB3ITGAVITGA2BITGB5ITGB6 | |
| SCHEMBL7262407 | 0.74 | ITGB3 (0.86) | ITGB3ITGAVITGA2BITGB5ITGB6 | |
| SCHEMBL12259092 | 0.73 | ITGB3 (0.68) | ITGB3ITGAVITGA2BITGB5ITGB6 | |
| SCHEMBL7105309 | 0.72 | ITGB3 (0.68) | ITGB3ITGAVITGA2BMEN1KMT2A | |
| SCHEMBL391659 | 0.71 | GABBR2 (0.79) | GABBR2GABBR1LMNACYP2C9THRB |
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 |