Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL780721 | 0.84 | GPR119 (0.48) | GRIN2BCYP3A4CYP2D6CYP2C9NAMPT | |
| SCHEMBL14720234 | 0.80 | GRIN2B (0.64) | GRIN2BCYP3A4CYP2D6CYP2C9EPHX2 | |
| SCHEMBL3933150 | 0.78 | GRIN2B (0.46) | GRIN2BCYP2C9EPHX2NPC1PKM | |
| SCHEMBL4294740 | 0.74 | MAN1B1 (0.43) | ADRB1PKMCXCR4 | |
| SCHEMBL3933047 | 0.74 | GRIN2B (0.45) | GRIN2BCYP3A4CYP2D6CYP2C9EPHX2 | |
| SCHEMBL28989369 | 0.74 | CHRNB2 (0.50) | GRIN2BCYP2D6CYP2C9 | |
| SCHEMBL14603115 | 0.73 | CHRNB2 (0.49) | CYP2D6CYP2C9 | |
| SCHEMBL14346591 | 0.72 | ADRA2A (0.42) | GRIN2BCYP3A4CYP2D6CYP2C9RAB9A | |
| SCHEMBL5337404 | 0.71 | FAAH (0.44) | GRIN2BCYP2D6EPHX2CXCR4 | |
| SCHEMBL23013515 | 0.70 | SIGLEC9 (0.57) | GRIN2BCYP3A4CYP2D6CYP2C9EPHX2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2044038-A2 | NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF | Cornerstone Therapeutics Inc. (US) | 2009-04-08 | — | — | EP | disclosed |
| WO-2007146066-A2 | NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF | CRITICAL THERAPEUTICS, INC. (US) | 2007-12-21 | — | — | WO | disclosed |