Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 19/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.79 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.79 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.79 |
| ▸ | HTR1A | P08908 | 1/20 | 0.56 |
| ▸ | HTR7 | P34969 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL7529966 | 0.90 | SIGMAR1 (1.00) | SIGMAR1CYP1A2CYP2D6TMEM97 | |
| SCHEMBL22642163 | 0.89 | SIGMAR1 (0.79) | SIGMAR1CYP1A2CYP2D6TMEM97HTR1A | |
| SCHEMBL467155 | 0.88 | SIGMAR1 (1.00) | SIGMAR1CYP1A2CYP2D6TMEM97TP53 | |
| SCHEMBL29472420 | 0.88 | SIGMAR1 (1.00) | SIGMAR1CYP1A2CYP2D6TMEM97TP53 | |
| Hydrochloric Acid SCHEMBL2727622 | 0.87 | SIGMAR1 (0.97) | SIGMAR1CYP1A2CYP2D6TMEM97TP53 | |
| Hydrochloric Acid SCHEMBL30570469 | 0.87 | SIGMAR1 (0.97) | SIGMAR1CYP1A2CYP2D6TMEM97TP53 | |
| SCHEMBL11938899 | 0.87 | SIGMAR1 (0.77) | SIGMAR1CYP1A2CYP2D6TMEM97 | |
| SCHEMBL5804316 | 0.83 | SIGMAR1 (0.93) | SIGMAR1CYP1A2CYP2D6TMEM97TP53 | |
| SCHEMBL10870036 | 0.82 | SIGMAR1 (0.70) | SIGMAR1CYP1A2CYP2D6TMEM97 | |
| SCHEMBL4173183 | 0.81 | SIGMAR1 (0.78) | SIGMAR1CYP1A2CYP2D6TMEM97HTR1A |
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-2002030422-A1 | USE OF DEFINED SUBSTANCES THAT BIND TO THE SIGMA RECEPTOR FOR COMBATING SARCOMA AND CARCINOMA | MERCK PATENT GMBH (DE) | 2002-04-18 | — | — | WO | disclosed |