Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.45 |
| ▸ | METAP1 | P53582 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL14939102 | 0.88 | ACHE (0.47) | ACHEMETAP1LMNANPC1ALDH1A1 | |
| SCHEMBL14939233 | 0.85 | METAP1 (0.45) | ACHEMETAP1LMNANPC1ALDH1A1 | |
| SCHEMBL14939569 | 0.84 | HTR2A (0.41) | ACHECYP19A1SIGMAR1SLC6A2SLC6A4 | |
| SCHEMBL5953324 | 0.84 | CYP1A2 (0.44) | ACHEMETAP1LMNANPC1ALDH1A1 | |
| SCHEMBL14939220 | 0.81 | CYP19A1 (0.59) | ACHEMETAP1LMNAALDH1A1MAPT | |
| SCHEMBL30785363 | 0.78 | ACHE (0.55) | ACHEMETAP1LMNAMAPTMAPK1 | |
| SCHEMBL2345374 | 0.78 | ACHE (0.55) | ACHEMETAP1LMNAMAPTMAPK1 | |
| SCHEMBL14939674 | 0.78 | HTR2A (0.47) | ACHELMNAMAPTCYP19A1SLC6A3 | |
| SCHEMBL9147933 | 0.77 | LMNA (0.64) | ACHELMNANPC1CYP19A1 | |
| SCHEMBL14941504 | 0.77 | ACHE (0.45) | ACHEMETAP1LMNAALDH1A1MAPT |
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 |