Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 2/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
| ▸ | CTSC | P53634 | 1/20 | 0.33 |
| ▸ | CPT2 | P23786 | 2/20 | 0.32 |
| ▸ | CPT1A | P50416 | 2/20 | 0.32 |
| ▸ | CPT1B | Q92523 | 1/20 | 0.32 |
| ▸ | SMYD3 | Q9H7B4 | 4/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4395266 | 0.82 | CYP11B1 (0.46) | CYP11B1CYP11B2PDE3BPDE3ASYK | |
| SCHEMBL25184590 | 0.78 | CYP11B1 (0.47) | CYP11B1CYP11B2PDE3BPDE3ASYK | |
| SCHEMBL1519697 | 0.78 | SMYD3 (0.50) | PDE3BPDE3ASMYD3GRIA1HDAC3 | |
| SCHEMBL1519694 | 0.78 | SMYD3 (0.50) | PDE3BPDE3ASMYD3GRIA1HDAC3 | |
| SCHEMBL4394150 | 0.75 | PDE3B (0.49) | CYP11B1CYP11B2PDE3BPDE3AKCNH2 | |
| SCHEMBL1341398 | 0.75 | MAPT (0.54) | KCNH2RECQLLMNA | |
| SCHEMBL1341399 | 0.75 | MAPT (0.54) | KCNH2RECQLLMNA | |
| SCHEMBL4397712 | 0.74 | CYP11B1 (0.44) | CYP11B1CYP11B2PDE3BPDE3ASYK | |
| SCHEMBL10916724 | 0.73 | CYP11B1 (0.51) | CYP11B1CYP11B2PDE3BPDE3ASYK | |
| SCHEMBL3597266 | 0.73 | LMNA (0.51) | CYP11B1CYP11B2PDE3BPDE3ASYK |
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 |
|---|---|---|---|---|---|---|---|
| EP-1959951-B1 | HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2009-12-23 | — | — | EP | disclosed |