Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | GPR183 | P32249 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.32 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.32 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.32 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
| ▸ | HTR7 | P34969 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27787993 | 0.86 | TDP1 (0.39) | TDP1HRH3CHRM2CHRM1OPRD1 | |
| Tert-Butyl Formate SCHEMBL28096891 | 0.83 | TDP1 (0.46) | TDP1HRH3CHRM2CHRM1OPRD1 | |
| Tert-Butyl Formate SCHEMBL27634686 | 0.83 | GNAO1 (0.35) | TDP1SIGMAR1 | |
| SCHEMBL2551138 | 0.79 | KDM4E (0.37) | GPR183KDM4EHRH3SLC6A2SLC6A4 | |
| SCHEMBL3534793 | 0.79 | KDM4E (0.37) | GPR183KDM4EHRH3SLC6A2SLC6A4 | |
| SCHEMBL13419180 | 0.79 | KDM4E (0.37) | GPR183KDM4EHRH3SLC6A2SLC6A4 | |
| Tert-Butyl Formate SCHEMBL28295231 | 0.79 | TDP1 (0.45) | TDP1CHRM2CHRM1OPRD1 | |
| SCHEMBL30611837 | 0.77 | KDM4E (0.36) | GPR183KDM4EHRH3SLC6A2SLC6A4 | |
| Ammonia Solution, Strong SCHEMBL10987919 | 0.77 | KDM4E (0.36) | GPR183KDM4EHRH3SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL4383352 | 0.77 | KDM4E (0.36) | GPR183KDM4EHRH3SLC6A2SLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-100558718-C | Piperazinyl and diazacyclo heptyl benzene methane amide and thiobenzamide | JANSSEN PHARMACEUTICA NV (BE) | 2009-11-11 | — | — | CN | disclosed |
| CN-1729180-A | Piperazinyl and diazapanyl benzamides and benzthioamides | JANSSEN PHARMACEUTICA NV (BE) | 2006-02-01 | — | — | CN | disclosed |