Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TACR1 | P25103 | 2/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | HRH2 | P25021 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14939349 | 0.90 | ALDH1A1 (0.46) | CYP2D6ALDH1A1KMT2ATSHRHTR7 | |
| SCHEMBL14939017 | 0.90 | HTR7 (0.48) | ALDH1A1KMT2ATSHRHTR7DRD2 | |
| SCHEMBL14939836 | 0.90 | TACR1 (0.45) | CYP2D6ALDH1A1KMT2ATACR1DRD2 | |
| SCHEMBL14939959 | 0.89 | MEN1 (0.48) | CYP2D6ALDH1A1KMT2ATSHRHTR7 | |
| SCHEMBL14939079 | 0.87 | ALDH1A1 (0.49) | ALDH1A1KMT2ADRD2DRD4MEN1 | |
| SCHEMBL14940045 | 0.85 | HTR6 (0.38) | CYP2D6ALDH1A1CYP3A4DRD2HTR6 | |
| SCHEMBL14940465 | 0.84 | SIGMAR1 (0.50) | ALDH1A1KMT2ATACR1DRD2CHRM3 | |
| SCHEMBL14939852 | 0.83 | NPSR1 (0.54) | CYP2D6ALDH1A1DRD2CHRM3 | |
| SCHEMBL14939853 | 0.82 | ALDH1A1 (0.36) | ALDH1A1KMT2ADRD2MEN1HTR6 | |
| SCHEMBL14939844 | 0.82 | NPSR1 (0.45) | ALDH1A1KMT2ADRD2DRD4MEN1 |
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 |