Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 11/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | TDO2 | P48775 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7891282 | 0.84 | SIGMAR1 (0.54) | SIGMAR1ALDH1A1TP53CYP1A2CYP3A4 | |
| SCHEMBL7885387 | 0.82 | SIGMAR1 (0.59) | SIGMAR1ALDH1A1TP53CYP1A2CYP3A4 | |
| SCHEMBL7881994 | 0.78 | SIGMAR1 (0.58) | SIGMAR1ALDH1A1TP53CYP1A2CYP3A4 | |
| SCHEMBL13664908 | 0.77 | SIGMAR1 (0.56) | SIGMAR1ALDH1A1TP53CYP1A2CYP3A4 | |
| SCHEMBL7293532 | 0.77 | SIGMAR1 (0.49) | SIGMAR1ALDH1A1TP53CYP1A2CYP3A4 | |
| SCHEMBL2743258 | 0.76 | SIGMAR1 (0.67) | SIGMAR1ALDH1A1TP53CYP1A2CYP3A4 | |
| SCHEMBL14888896 | 0.74 | SIGMAR1 (0.51) | SIGMAR1ALDH1A1TP53CYP1A2CYP3A4 | |
| SCHEMBL6339199 | 0.73 | IDO1 (0.64) | SIGMAR1ALDH1A1TP53CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL7379764 | 0.73 | SIGMAR1 (0.64) | SIGMAR1ALDH1A1TP53CYP1A2CYP3A4 | |
| SCHEMBL9479601 | 0.72 | CYP2D6 (0.54) | SIGMAR1ALDH1A1TP53CYP1A2CYP3A4 |
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-2010102003-A2 | ALKYLSULFONYL-2,3-DIHYDROSPIRO[INDENE-1,4'-PIPERIDINE] ANALOGS AS GLYT1 INHIBITORS, METHODS FOR MAKING SAME, AND USE OF SAME IN TREATING PSYCHIATRIC DISORDERS | VANDERBILT UNIVERSITY (US) | 2010-09-10 | — | — | WO | disclosed |