Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 2/20 | 0.56 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 3/20 | 0.55 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.54 |
| ▸ | CCNC | P24863 | 1/20 | 0.47 |
| ▸ | CDK8 | P49336 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | NAMPT | P43490 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7909753 | 0.99 | POLB (0.57) | ITGB3ITGA2BPOLBITGA2CCNC | |
| SCHEMBL8386242 | 0.93 | EPHX2 (0.54) | ITGB3ITGA2BPOLBITGA2CCNC | |
| SCHEMBL7900157 | 0.91 | ITGB3 (0.51) | ITGB3ITGA2BPOLBITGA2CCNC | |
| SCHEMBL8385665 | 0.88 | POLB (0.58) | POLBCCNCCDK8EPHX2NPC1 | |
| SCHEMBL7909721 | 0.84 | POLB (0.46) | ITGB3ITGA2BPOLBITGA2EPHX2 | |
| SCHEMBL7909438 | 0.84 | ITGB3 (0.54) | ITGB3ITGA2BPOLBITGA2EPHX2 | |
| Hydrochloric Acid SCHEMBL7909852 | 0.84 | POLB (0.51) | POLBCCNCCDK8EPHX2NPC1 | |
| SCHEMBL7909440 | 0.84 | ITGB3 (0.54) | ITGB3ITGA2BPOLBITGA2EPHX2 | |
| SCHEMBL7909796 | 0.82 | ITGB3 (0.51) | ITGB3ITGA2BPOLBITGA2EPHX2 | |
| SCHEMBL8382617 | 0.80 | NAMPT (0.49) | POLBCCNCCDK8EPHX2CHRM3 |
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-0608759-B1 | Piperazine derivatives | MERCK PATENT GMBH (DE) | 2001-08-22 | — | — | EP | disclosed |
| US-5908843-A | Piperazine compounds as fibrinogen inhibitors | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1999-06-01 | — | — | US | disclosed |
| EP-0608759-A2 | Piperazinderivatives | MERCK PATENT GmbH (DE) | 1994-08-03 | — | — | EP | disclosed |