Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CHAT | P28329 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL693986 | 1.00 | HTR2A (0.38) | HTR2AALDH1A1TSHRMAOBCYP2A6 | |
| SCHEMBL10492353 | 1.00 | HTR2A (0.38) | HTR2AALDH1A1TSHRMAOBCYP2A6 | |
| SCHEMBL4340049 | 0.76 | HTR2A (0.35) | HTR2AALDH1A1TSHRMAOBCYP2A6 | |
| SCHEMBL207317 | 0.70 | — | — | |
| SCHEMBL2939273 | 0.70 | — | — | |
| SCHEMBL123464 | 0.70 | — | — | |
| SCHEMBL366631 | 0.69 | ALDH1A1 (0.45) | ALDH1A1TSHRMAOBCYP2A6LMNA | |
| Ammonia Solution, Strong SCHEMBL9795266 | 0.67 | ALDH1A1 (0.43) | ALDH1A1TSHRMAOBCYP2A6LMNA | |
| SCHEMBL28981587 | 0.67 | ALDH1A1 (0.43) | ALDH1A1TSHRMAOBCYP2A6LMNA | |
| SCHEMBL4333668 | 0.67 | ALDH1A1 (0.38) | ALDH1A1TSHRMAOBCYP2A6LMNA |
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-2421852-A1 | HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR | Janssen Pharmaceutica N.V. (BE) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010124121-A1 | HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR | JANSEN PHARMACEUTICA NV (BE) | 2010-10-28 | — | — | WO | disclosed |