Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.67 |
| ▸ | TSHR | P16473 | 2/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.67 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.67 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.67 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.67 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.67 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.67 |
| ▸ | DRD3 | P35462 | 2/20 | 0.67 |
| ▸ | HTR2B | P41595 | 2/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.67 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.67 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.67 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 3/20 | 0.66 |
| ▸ | BLM | P54132 | 1/20 | 0.66 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.66 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.66 |
| ▸ | DRD4 | P21917 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4492926 | 0.90 | CYP3A4 (0.57) | CYP3A4TSHRCYP2D6ADRB1ADRA2A | |
| SCHEMBL7292391 | 0.89 | CYP3A4 (0.76) | CYP3A4TSHRCYP2D6ADRB1ADRA2A | |
| SCHEMBL6283413 | 0.86 | CYP3A4 (0.49) | CYP3A4TSHRCYP2D6ADRB1ADRA2A | |
| SCHEMBL3827741 | 0.85 | ADRA1A (0.62) | CYP3A4TSHRCYP2D6ADRB1ADRA2A | |
| SCHEMBL6284296 | 0.85 | CYP2D6 (0.64) | CYP3A4TSHRCYP2D6ADRB1ADRA2A | |
| SCHEMBL6276948 | 0.84 | CYP3A4 (0.75) | CYP3A4TSHRCYP2D6ADRB1ADRA2A | |
| SCHEMBL6286482 | 0.83 | CYP3A4 (0.64) | CYP3A4TSHRCYP2D6ADRB1ADRA2A | |
| SCHEMBL12598795 | 0.82 | CYP3A4 (0.70) | CYP3A4TSHRCYP2D6ADRB1ADRA2A | |
| Ranolazine SCHEMBL1495098 | 0.80 | CYP3A4 (1.00) | CYP3A4TSHRCYP2D6ADRB1ADRA2A | |
| Ranolazine SCHEMBL124666 | 0.80 | CYP3A4 (1.00) | CYP3A4TSHRCYP2D6ADRB1ADRA2A |
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-6552023-B2 | N-(2,6-dimethylphenyl)-2-(4-(2-hydroxy-4-phenylbutyl) -piperazinyl)acetamide, for example; useful to protect skeletal muscles against damage from trauma or disease, treat shock, preserve donor tissue or organs; greater half-life | CV THERAPEUTICS, INC. | 2003-04-22 | — | — | US | claimed |
| US-6852723-B2 | Aralkyl substituted piperazine compounds | CV THERAPEUTICS, INC. (US) | 2005-02-08 | — | — | US | disclosed |