Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BDKRB1 | P46663 | 2/20 | 0.34 |
| ▸ | TACR3 | P29371 | 3/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | TBK1 | Q9UHD2 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | FASN | P49327 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MGLL | Q99685 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7910233 | 0.80 | CYP3A4 (0.34) | CYP3A4CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL7908120 | 0.79 | MGLL (0.42) | ALDH1A1HDAC4HDAC2HDAC8HDAC6 | |
| SCHEMBL7908118 | 0.78 | ALDH1A1 (0.45) | GPR119CYP3A4ALDH1A1 | |
| SCHEMBL7906027 | 0.77 | ACACB (0.32) | CYP3A4 | |
| SCHEMBL7915500 | 0.76 | ALDH1A1 (0.42) | ALDH1A1FASNMGLL | |
| SCHEMBL378915 | 0.76 | TSHR (0.43) | BDKRB1TBK1ALDH1A1MGLL | |
| SCHEMBL7910802 | 0.76 | TSHR (0.39) | ALDH1A1FASN | |
| SCHEMBL7913727 | 0.76 | KDM4E (0.37) | CYP3A4ALDH1A1LMNA | |
| SCHEMBL379355 | 0.75 | TACR3 (0.41) | BDKRB1TACR3CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7902201 | 0.74 | RAB9A (0.48) | TACR3CYP3A4KCNH2CYP1A2CYP2C9 |
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-2010106081-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-23 | — | — | WO | disclosed |