Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.72 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.71 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.69 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.69 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.69 |
| ▸ | EBP | Q15125 | 3/20 | 0.66 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.66 |
| ▸ | EBPL | Q9BY08 | 1/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL2360468 | 1.00 | SIGMAR1 (0.72) | SIGMAR1ADRA2AOPRM1OPRK1OPRD1 | |
| SCHEMBL3403111 | 1.00 | SIGMAR1 (0.72) | SIGMAR1ADRA2AOPRM1OPRK1OPRD1 | |
| SCHEMBL13366481 | 0.85 | SIGMAR1 (0.51) | SIGMAR1ADRA2AOPRM1OPRK1OPRD1 | |
| SCHEMBL25358487 | 0.83 | SIGMAR1 (1.00) | SIGMAR1ADRA2AOPRM1OPRK1OPRD1 | |
| SCHEMBL11684907 | 0.83 | SIGMAR1 (0.70) | SIGMAR1ADRA2AOPRM1OPRK1OPRD1 | |
| SCHEMBL11870073 | 0.81 | SIGMAR1 (0.48) | SIGMAR1ADRA2AOPRM1OPRK1OPRD1 | |
| SCHEMBL25358883 | 0.81 | SIGMAR1 (0.74) | SIGMAR1ADRA2AOPRM1OPRK1OPRD1 | |
| SCHEMBL25357939 | 0.81 | SIGMAR1 (1.00) | SIGMAR1ADRA2AOPRM1OPRK1OPRD1 | |
| SCHEMBL11864088 | 0.80 | SIGMAR1 (0.54) | SIGMAR1ADRA2AOPRM1OPRK1OPRD1 | |
| [18F]Fluspidine SCHEMBL29873189 | 0.80 | SLC18A3 (1.00) | SIGMAR1OPRM1OPRK1OPRD1EBP |
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 |
|---|---|---|---|---|---|---|---|
| EP-2356123-A1 | SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES | F. Hoffmann-La Roche AG (CH) | 2011-08-17 | — | — | EP | disclosed |
| WO-2010054961-A1 | SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-05-20 | — | — | WO | disclosed |