Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 4/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14940471 | 0.91 | CXCR3 (0.48) | CXCR3SIGMAR1DRD2HTR2AHTR2C | |
| SCHEMBL14940057 | 0.91 | CXCR3 (0.63) | CXCR3SIGMAR1DRD2HTR2AHTR2C | |
| SCHEMBL14938853 | 0.85 | CXCR4 (0.48) | DRD2CHRM2CHRM3ACHE | |
| SCHEMBL14939344 | 0.85 | CHRM2 (0.52) | CXCR3DRD2CHRM2CHRM3ACHE | |
| SCHEMBL14939321 | 0.84 | SIGMAR1 (0.55) | CXCR3SIGMAR1DRD2CHRM2CHRM3 | |
| SCHEMBL14939041 | 0.84 | HTR7 (0.40) | CXCR3CHRM2CHRM3 | |
| SCHEMBL14939226 | 0.83 | CXCR3 (0.61) | CXCR3SIGMAR1DRD2HTR2AHTR2C | |
| SCHEMBL14939192 | 0.83 | ALDH1A1 (0.49) | SIGMAR1DRD2ACHE | |
| SCHEMBL14939665 | 0.83 | ACHE (0.44) | CXCR3DRD2CHRM2CHRM3ACHE | |
| SCHEMBL14940366 | 0.83 | ACHE (0.44) | CXCR3DRD2CHRM2CHRM3ACHE |
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 |