Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 3/20 | 0.43 |
| ▸ | MPO | P05164 | 2/20 | 0.41 |
| ▸ | ADCY10 | Q96PN6 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 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 | |
|---|---|---|---|---|
| SCHEMBL57463 | 0.80 | MPO (0.56) | MPOADCY10 | |
| SCHEMBL28488593 | 0.74 | P2RX3 (0.39) | DHFRHTTALDH1A1 | |
| SCHEMBL28960523 | 0.71 | MPO (0.45) | MPOADCY10ALDH1A1 | |
| SCHEMBL9536859 | 0.71 | ADORA2A (0.46) | MPOALDH1A1CNR1CNR2 | |
| SCHEMBL9536206 | 0.71 | TXNRD1 (0.37) | DHFRHTTALDH1A1 | |
| SCHEMBL28965174 | 0.71 | MAPT (0.42) | MPOADCY10ALDH1A1CNR1CNR2 | |
| SCHEMBL2419053 | 0.70 | KDM4E (0.49) | MPOALDH1A1CYP2D6ATM | |
| SCHEMBL28960530 | 0.69 | LMNA (0.44) | DHFRMPOADCY10HTTCNR2 | |
| SCHEMBL3844233 | 0.69 | NPC1 (0.32) | DHFRALDH1A1 | |
| SCHEMBL9538832 | 0.69 | GAA (0.43) | DHFRHTTALDH1A1GPR55LTA4H |
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-0151826-B1 | 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-03-31 | — | — | EP | disclosed |
| EP-0151826-A1 | 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1985-08-21 | — | — | EP | disclosed |