Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9473185 | 0.83 | SIGMAR1 (0.44) | SIGMAR1DRD2HTR2A | |
| SCHEMBL9473428 | 0.83 | DRD2 (0.60) | SIGMAR1DRD2HTR2AKCNH2 | |
| SCHEMBL9473358 | 0.82 | HTR2A (0.39) | SIGMAR1DRD2HTR2AADRA1DADRA1A | |
| SCHEMBL9472392 | 0.81 | SIGMAR1 (0.58) | SIGMAR1DRD2HTR2A | |
| SCHEMBL9473146 | 0.80 | DRD2 (0.50) | SIGMAR1DRD2HTR2AADRA1DADRA1A | |
| SCHEMBL9472741 | 0.80 | SIGMAR1 (0.42) | SIGMAR1DRD2HTR2AKCNH2 | |
| SCHEMBL9473376 | 0.80 | SIGMAR1 (0.41) | SIGMAR1DRD2HTR2AADRA1DADRA1A | |
| SCHEMBL9473946 | 0.79 | SIGMAR1 (0.46) | SIGMAR1DRD2HTR2AADRA1DADRA1A | |
| Maleic Acid SCHEMBL9472503 | 0.78 | SIGMAR1 (0.38) | SIGMAR1DRD2HTR2A | |
| SCHEMBL9473200 | 0.78 | HTR2A (0.36) | SIGMAR1DRD2HTR2AADRA1DADRA1A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5215984-A | Antihypertensive spiro(piperidine- pyrrolidine- or hexahydroazepinyl substituted) pyrrolo(2,1-c)(1,4)benzoxazepines) | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1993-06-01 | — | — | US | disclosed |
| US-4918069-A | ANALGESICS, HYPOTENSIVE AGENTS | HOECHST-ROUSSEL PHARMACEUTICALS INC. | 1990-04-17 | — | — | US | disclosed |
| US-4812450-A | ANALGESIC, HYPOTENSIVE | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1989-03-14 | — | — | US | disclosed |
| EP-0301426-A1 | Spiro[(piperidine-, pyrrolidine- or hexahydroazepine substituted)pyrrolo[2,1-c][1,4]benzoxazepines], a process for their preparation, intermediates thereof, and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1989-02-01 | — | — | EP | disclosed |