Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
| ▸ | UTS2R | Q9UKP6 | 5/20 | 0.38 |
| ▸ | CCKBR | P32239 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL13691762 | 0.91 | NPC1 (0.44) | NPC1OPRM1OPRD1RAB9ASMN1; SMN2 | |
| SCHEMBL13190966 | 0.88 | HPGD (0.47) | NPC1OPRM1OPRD1RAB9ASMN1; SMN2 | |
| SCHEMBL13188836 | 0.85 | NPC1 (0.46) | NPC1OPRM1OPRD1RAB9ASMN1; SMN2 | |
| SCHEMBL13689525 | 0.85 | DRD3 (0.51) | NPC1DRD4DRD2DRD3 | |
| SCHEMBL13689520 | 0.85 | DRD3 (0.49) | NPC1DRD4DRD2DRD3 | |
| SCHEMBL13689398 | 0.84 | NPC1 (0.44) | NPC1OPRM1OPRD1RAB9ASMN1; SMN2 | |
| SCHEMBL13691765 | 0.79 | NPC1 (0.44) | NPC1OPRM1OPRD1RAB9ASMN1; SMN2 | |
| SCHEMBL13689404 | 0.79 | AOC2 (0.38) | NPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL13691761 | 0.78 | DRD3 (0.43) | NPC1OPRM1OPRD1RAB9ASMN1; SMN2 | |
| SCHEMBL13691769 | 0.75 | OPRM1 (0.46) | NPC1OPRM1OPRD1RAB9ASMN1; SMN2 |
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-2009105823-A1 | 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS | MIMETICA PTY LTD (AU) | 2009-09-03 | — | — | WO | disclosed |