Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.41 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.40 |
| ▸ | ASPH | Q12797 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | KDM8 | Q8N371 | 2/20 | 0.39 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.38 |
| ▸ | RIOX2 | Q8IUF8 | 1/20 | 0.38 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.36 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6102490 | 0.85 | AKR1C3 (0.51) | MAPTP4HTMKDM4ENPC1RAB9A | |
| SCHEMBL15019426 | 0.84 | LCK (0.50) | MAPTKDM4EABL1 | |
| SCHEMBL4243746 | 0.82 | TSHR (0.47) | MAPTKDM4ENPC1RAB9A | |
| SCHEMBL1202394 | 0.81 | KDM4E (0.56) | P4HTMASPHKDM4EKDM8RIOX2 | |
| SCHEMBL4242693 | 0.81 | P4HTM (0.65) | MAPTP4HTMKDM4EMRGPRX4NPC1 | |
| SCHEMBL21200217 | 0.79 | CBLB (0.48) | PTPN7ASPHKDM4EKDM8RIOX2 | |
| SCHEMBL1202095 | 0.79 | MCL1 (0.51) | ABL1NR1H4 | |
| SCHEMBL21200444 | 0.77 | PTPN7 (0.40) | MAPTPTPN7ASPHKDM4EKDM8 | |
| SCHEMBL991920 | 0.77 | P4HTM (0.63) | MAPTP4HTMKDM4E | |
| SCHEMBL1201238 | 0.77 | P4HTM (0.67) | MAPTP4HTMKDM4EMRGPRX4NPC1 |
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-2791130-A1 | PIPERAZINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLU5 RECEPTORS | Boehringer Ingelheim International GmbH (DE) | 2014-10-22 | — | — | EP | disclosed |
| WO-2013087805-A1 | PIPERAZINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLU5 RECEPTORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-20 | — | — | WO | disclosed |