Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.69 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.69 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.42 |
| ▸ | TACR1 | P25103 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | BRD2 | P25440 | 1/20 | 0.37 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18100596 | 1.00 | SIGMAR1 (0.69) | SIGMAR1TMEM97HRH3TACR1MGLL | |
| SCHEMBL21499080 | 1.00 | SIGMAR1 (0.69) | SIGMAR1TMEM97HRH3TACR1MGLL | |
| SCHEMBL18099328 | 0.88 | SIGMAR1 (0.52) | SIGMAR1TMEM97HRH3 | |
| SCHEMBL18099332 | 0.85 | SIGMAR1 (0.55) | SIGMAR1TMEM97HRH3CHRM3 | |
| SCHEMBL16408535 | 0.85 | SIGMAR1 (0.55) | SIGMAR1TMEM97HRH3CHRM3 | |
| SCHEMBL18100571 | 0.85 | SIGMAR1 (0.55) | SIGMAR1TMEM97HRH3CHRM3 | |
| SCHEMBL16408637 | 0.85 | SIGMAR1 (0.55) | SIGMAR1TMEM97HRH3CHRM3 | |
| SCHEMBL21499079 | 0.82 | SIGMAR1 (1.00) | SIGMAR1TMEM97 | |
| SCHEMBL16408529 | 0.82 | SIGMAR1 (1.00) | SIGMAR1TMEM97 | |
| SCHEMBL21870943 | 0.82 | SIGMAR1 (1.00) | SIGMAR1TMEM97 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015009742-A2 | COMPOUNDS AND METHODS FOR TREATING CANCER, NEUROLOGICAL DISORDERS, ETHANOL WITHDRAWAL, ANXIETY, DEPRESSION, AND NEUROPATHIC PAIN | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2015-01-22 | — | — | WO | disclosed |