Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNAO1 | P09471 | 3/20 | 0.35 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.35 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | ADH1B | P00325 | 1/20 | 0.33 |
| ▸ | ADH1C | P00326 | 1/20 | 0.33 |
| ▸ | ADH1A | P07327 | 1/20 | 0.33 |
| ▸ | ADH4 | P08319 | 1/20 | 0.33 |
| ▸ | ADH7 | P40394 | 1/20 | 0.33 |
| ▸ | KDM2B | Q8NHM5 | 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 SCHEMBL27615779 | 0.83 | TDP1 (0.41) | TDP1SIGMAR1 | |
| SCHEMBL20363958 | 0.83 | GNAO1 (0.44) | GNAO1GNAI3GNAI1SIGMAR1 | |
| SCHEMBL27736675 | 0.83 | GNAO1 (0.44) | GNAO1GNAI3GNAI1SIGMAR1 | |
| SCHEMBL13636463 | 0.83 | GNAO1 (0.44) | GNAO1GNAI3GNAI1SIGMAR1 | |
| SCHEMBL20363956 | 0.83 | GNAO1 (0.44) | GNAO1GNAI3GNAI1SIGMAR1 | |
| SCHEMBL4308599 | 0.83 | GNAO1 (0.44) | GNAO1GNAI3GNAI1SIGMAR1 | |
| Hydrochloric Acid SCHEMBL4377618 | 0.81 | GNAO1 (0.47) | GNAO1GNAI3GNAI1SIGMAR1 | |
| SCHEMBL6529488 | 0.81 | GNAO1 (0.42) | GNAO1GNAI3GNAI1SIGMAR1KDM2B | |
| Tert-Butyl Formate SCHEMBL27787993 | 0.79 | TDP1 (0.39) | TDP1SIGMAR1 | |
| SCHEMBL24026518 | 0.77 | SIGMAR1 (0.40) | GNAO1GNAI3GNAI1SIGMAR1 |
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 |