Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 2/20 | 0.46 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8857464 | 0.84 | TDP1 (0.55) | MAPTCYP3A4HCAR2CYP1A2CYP2C19 | |
| SCHEMBL11176315 | 0.81 | PTPN1 (0.50) | APPMAPTPTPN1CYP3A4RELA | |
| SCHEMBL29462468 | 0.75 | RELA (0.62) | APPMAPTPTPN1CYP3A4RELA | |
| SCHEMBL78427 | 0.75 | RELA (0.62) | APPMAPTPTPN1CYP3A4RELA | |
| SCHEMBL6552210 | 0.75 | RELA (0.62) | APPMAPTPTPN1CYP3A4RELA | |
| SCHEMBL78426 | 0.75 | RELA (0.62) | APPMAPTPTPN1CYP3A4RELA | |
| SCHEMBL29966677 | 0.75 | RELA (0.62) | APPMAPTPTPN1CYP3A4RELA | |
| SCHEMBL16198413 | 0.74 | APP (0.69) | APPMAPTPTPN1CYP3A4RELA | |
| SCHEMBL16198414 | 0.74 | APP (0.69) | APPMAPTPTPN1CYP3A4RELA | |
| SCHEMBL2887149 | 0.74 | GLA (0.60) | APPMAPTPTPN1CYP3A4RELA |
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-2257534-A1 | 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS | Mimetica Pty Limited (AU) | 2010-12-08 | — | — | EP | disclosed |
| WO-2009105823-A1 | 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS | MIMETICA PTY LTD (AU) | 2009-09-03 | — | — | WO | disclosed |