Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 3/20 | 0.43 |
| ▸ | DRD4 | P21917 | 3/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.42 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 4/20 | 0.40 |
| ▸ | BCHE | P06276 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL14939944 | 0.91 | CHRM3 (0.52) | CXCR4CHRM3ALDH1A1CHRM2CHRM4 | |
| SCHEMBL14939041 | 0.90 | HTR7 (0.40) | CXCR4CHRM3ALDH1A1CHRM2 | |
| SCHEMBL14939665 | 0.89 | ACHE (0.44) | CHRM3ALDH1A1DRD2DRD4CHRM2 | |
| SCHEMBL14940366 | 0.89 | ACHE (0.44) | CHRM3ALDH1A1DRD2DRD4CHRM2 | |
| SCHEMBL14939163 | 0.89 | ACHE (0.44) | CHRM3ALDH1A1DRD2DRD4CHRM2 | |
| SCHEMBL14939161 | 0.86 | ALDH1A1 (0.39) | CXCR4CHRM3ALDH1A1DRD2DRD4 | |
| SCHEMBL14938989 | 0.86 | HTR7 (0.37) | CXCR4CHRM3ALDH1A1DRD2DRD4 | |
| SCHEMBL14939140 | 0.85 | CXCR3 (0.53) | CHRM3DRD2CHRM2ACHE | |
| SCHEMBL14940471 | 0.85 | CXCR3 (0.48) | CHRM3DRD2CHRM2ACHE | |
| SCHEMBL14939601 | 0.85 | ALDH1A1 (0.46) | ALDH1A1MAPTCHRM1ACHEBCHE |
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 2 patents. 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 | claimed |
| WO-2013068785-A1 | INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-05-16 | — | — | WO | disclosed |