Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | IGF1R | P08069 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.44 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.44 |
| ▸ | SRD5A1 | P18405 | 4/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.41 |
| ▸ | PRKACA | P17612 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | CDK8 | P49336 | 1/20 | 0.41 |
| ▸ | CDK9 | P50750 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL22072985 | 1.00 | KDM1A (0.49) | KDM1AMAOAMAOBIGF1RALOX15 | |
| SCHEMBL24899246 | 1.00 | KDM1A (0.49) | KDM1AMAOAMAOBIGF1RALOX15 | |
| SCHEMBL5709365 | 0.89 | SRD5A1 (0.45) | KDM1ASRD5A1SRD5A2CYP17A1CYP3A4 | |
| SCHEMBL8528885 | 0.83 | ESR1 (0.45) | KDM1AIGF1RALOX15SRD5A1SRD5A2 | |
| SCHEMBL8224504 | 0.83 | IGF1R (0.55) | IGF1RALOX15 | |
| SCHEMBL5709417 | 0.79 | PRCP (0.56) | SIGMAR1 | |
| SCHEMBL503849 | 0.77 | SIGMAR1 (0.62) | KDM1AMAOAMAOBIGF1RALOX15 | |
| SCHEMBL29390302 | 0.77 | SIGMAR1 (0.62) | KDM1AMAOAMAOBIGF1RALOX15 | |
| Alcohol SCHEMBL27680722 | 0.77 | CYP3A4 (0.50) | TRPM5CYP17A1CYP3A4CYP11B1CYP11B2 | |
| SCHEMBL9193257 | 0.77 | DRD1 (0.67) | ALOX15SIGMAR1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101137632-B | Process for the preparation of trans-1- ((1R,3S) -6-chloro-3-phenylindan-1-yl) -3, 3-dimethylpiperazine | LUNDBECK & CO AS H | 2013-06-19 | — | — | CN | disclosed |