Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL14939959 | 0.90 | MEN1 (0.48) | CYP2D6CHRM3KMT2AMEN1ALDH1A1 | |
| SCHEMBL14939342 | 0.90 | CYP2D6 (0.48) | TACR1CYP2D6CHRM3KMT2AMEN1 | |
| SCHEMBL14940048 | 0.88 | ALDH1A1 (0.44) | KMT2AMEN1ALDH1A1KDM4EALOX15 | |
| SCHEMBL14939332 | 0.86 | SIGMAR1 (0.43) | CHRM3KMT2AMEN1ALDH1A1KDM4E | |
| SCHEMBL14938869 | 0.86 | SIGMAR1 (0.48) | TACR1CHRM3DRD2 | |
| SCHEMBL14939880 | 0.85 | NPSR1 (0.52) | TACR1CYP2D6CHRM3KMT2AMEN1 | |
| SCHEMBL14940045 | 0.83 | HTR6 (0.38) | CYP2D6ALDH1A1KDM4EDRD2 | |
| SCHEMBL14939349 | 0.83 | ALDH1A1 (0.46) | CYP2D6CHRM3KMT2AMEN1ALDH1A1 | |
| SCHEMBL14939017 | 0.83 | HTR7 (0.48) | CHRM3KMT2AMEN1ALDH1A1KDM4E | |
| SCHEMBL14939744 | 0.82 | LMNA (0.45) | KMT2AMEN1ALDH1A1KDM4EDRD2 |
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 |