Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | BACE1 | P56817 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.37 |
| ▸ | GPR34 | Q9UPC5 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13689395 | 0.77 | HDAC3 (0.35) | HTTALDH1A1PKMGAA | |
| SCHEMBL13689517 | 0.75 | GAA (0.38) | SMN1; SMN2ALDH1A1MAPTGAA | |
| SCHEMBL13689524 | 0.74 | HDAC3 (0.48) | MAPTGAA | |
| SCHEMBL13691662 | 0.73 | TMEM97 (0.47) | SMN1; SMN2HTTNPC1RAB9ACYP1A2 | |
| SCHEMBL13689519 | 0.73 | LMNA (0.48) | SMN1; SMN2HTTALDH1A1PKMNPC1 | |
| SCHEMBL13689400 | 0.72 | HDAC3 (0.44) | HTTKDM4EALDH1A1PKM | |
| SCHEMBL13691674 | 0.72 | DRD2 (0.41) | HTTALDH1A1PKMMAPT | |
| SCHEMBL13188839 | 0.70 | TMEM97 (0.42) | NPC1 | |
| SCHEMBL13188836 | 0.70 | NPC1 (0.46) | SMN1; SMN2NPC1RAB9A | |
| SCHEMBL13190974 | 0.69 | ALDH1A1 (0.43) | KDM4EALDH1A1NPSR1RECQLPKM |
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 |