Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13689403 | 0.81 | CPB2 (0.49) | CPB2 | |
| SCHEMBL13691793 | 0.79 | NPC1 (0.47) | NPC1OPRM1TMEM97SIGMAR1OPRD1 | |
| SCHEMBL13691791 | 0.79 | ACR (0.56) | CPB2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL22545910 | 0.77 | HDAC3 (0.50) | NPC1OPRM1TMEM97SIGMAR1DRD2 | |
| SCHEMBL13691762 | 0.75 | NPC1 (0.44) | NPC1OPRM1TMEM97SIGMAR1OPRD1 | |
| SCHEMBL8360611 | 0.74 | CPB2 (0.53) | CPB2 | |
| SCHEMBL13691671 | 0.72 | CPB2 (0.37) | NPC1CPB2RAB9ASMN1; SMN2 | |
| SCHEMBL13689525 | 0.72 | DRD3 (0.51) | NPC1DRD2DRD3DRD4 | |
| SCHEMBL13689520 | 0.72 | DRD3 (0.49) | NPC1DRD2DRD3DRD4 | |
| SCHEMBL13190965 | 0.72 | CTSL (0.45) | METAP2METAP1 |
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 |