Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 7/20 | 0.47 |
| ▸ | METAP1 | P53582 | 4/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL14939508 | 0.88 | ACHE (0.45) | ACHEMETAP1CYP19A1NPC1ALDH1A1 | |
| SCHEMBL5953324 | 0.81 | CYP1A2 (0.44) | ACHEMETAP1CYP19A1NPC1ALDH1A1 | |
| SCHEMBL14939185 | 0.80 | ACHE (0.51) | ACHEMETAP1CYP19A1TSHR | |
| SCHEMBL5951963 | 0.78 | ACHE (0.41) | ACHEMETAP1CYP19A1NPC1ALDH1A1 | |
| SCHEMBL2345374 | 0.77 | ACHE (0.55) | ACHEMETAP1CYP19A1LMNAMAPT | |
| SCHEMBL30785363 | 0.77 | ACHE (0.55) | ACHEMETAP1CYP19A1LMNAMAPT | |
| SCHEMBL13176510 | 0.74 | KDM4E (0.53) | ACHEMETAP1CYP19A1NPC1ALDH1A1 | |
| SCHEMBL2920960 | 0.74 | CYP19A1 (0.56) | ACHEMETAP1CYP19A1NPC1ALDH1A1 | |
| SCHEMBL14939220 | 0.74 | CYP19A1 (0.59) | ACHEMETAP1CYP19A1ALDH1A1LMNA | |
| SCHEMBL30423664 | 0.74 | ACHE (0.49) | ACHEMETAP1CYP19A1DRD2TSHR |
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-2013068785-A1 | INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-05-16 | — | — | WO | disclosed |