Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.70 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.70 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.70 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.70 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.70 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.70 |
| ▸ | DRD3 | P35462 | 2/20 | 0.70 |
| ▸ | HTR2B | P41595 | 2/20 | 0.70 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.70 |
| ▸ | TSHR | P16473 | 1/20 | 0.70 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.70 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.70 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.70 |
| ▸ | LMNA | P02545 | 2/20 | 0.68 |
| ▸ | BLM | P54132 | 1/20 | 0.68 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.68 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.68 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.60 |
| ▸ | HTR2A | P28223 | 3/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL6765879 | 0.85 | CYP3A4 (0.82) | CYP3A4CYP2D6ADRB1ADRA2AADRA2B | |
| SCHEMBL13991286 | 0.83 | DRD3 (0.56) | CYP3A4CYP2D6ADRB1ADRA2AADRA2B | |
| SCHEMBL13982204 | 0.82 | CYP3A4 (0.81) | CYP3A4CYP2D6ADRB1ADRA2AADRA2B | |
| Ranolazine SCHEMBL1495098 | 0.82 | CYP3A4 (1.00) | CYP3A4CYP2D6ADRB1ADRA2AADRA2B | |
| Ranolazine SCHEMBL124665 | 0.82 | CYP3A4 (1.00) | CYP3A4CYP2D6ADRB1ADRA2AADRA2B | |
| Ranolazine SCHEMBL124666 | 0.82 | CYP3A4 (1.00) | CYP3A4CYP2D6ADRB1ADRA2AADRA2B | |
| Ranolazine SCHEMBL1534086 | 0.82 | CYP3A4 (1.00) | CYP3A4CYP2D6ADRB1ADRA2AADRA2B | |
| Ranolazine SCHEMBL30296819 | 0.82 | CYP3A4 (1.00) | CYP3A4CYP2D6ADRB1ADRA2AADRA2B | |
| Ranolazine SCHEMBL7933344 | 0.82 | CYP3A4 (1.00) | CYP3A4CYP2D6ADRB1ADRA2AADRA2B | |
| Ranolazine SCHEMBL6391141 | 0.82 | CYP3A4 (1.00) | CYP3A4CYP2D6ADRB1ADRA2AADRA2B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008157240-A1 | SUBSTITUTED PIPERAZINES | AUSPEX PHARMACEUTICALS, INC. (US) | 2008-12-24 | — | — | WO | disclosed |