Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QDPR | P09417 | 3/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | DRD2 | P14416 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL11720641 | 0.98 | QDPR (0.64) | QDPRCYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5792003 | 0.91 | QDPR (0.79) | QDPRCYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL13093266 | 0.91 | QDPR (0.79) | QDPRCYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27635029 | 0.85 | CYP2D6 (0.50) | QDPRCYP2D6SLC6A2SLC6A4SLC6A3 | |
| Bromide SCHEMBL4031386 | 0.83 | CYP2D6 (0.49) | QDPRCYP2D6SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL15650583 | 0.83 | CYP2D6 (0.49) | QDPRCYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL14632138 | 0.81 | HTR2A (0.65) | QDPRHTR2A | |
| SCHEMBL28188871 | 0.81 | QDPR (0.68) | QDPRCYP2D6ACMSD | |
| SCHEMBL1291751 | 0.81 | QDPR (0.68) | QDPRACMSD | |
| SCHEMBL8385390 | 0.79 | QDPR (1.00) | QDPRACMSD |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4046901-A | HYPOTENSIVE AGENTS | ROUSSEL-UCLAF (FR) | 1977-09-06 | — | — | US | claimed |
| US-4387229-A | ANALGESICS, TRANQUILIZERS, SEDATIVES | PFIZER INC. (US) | 1983-06-07 | — | — | US | disclosed |
| US-4332942-A | 3-(2-Hydroxy-4-(substituted)phenyl)azacycloalkanes as analgesics | PFIZER, INC. (US) | 1982-06-01 | — | — | US | disclosed |
| US-4263438-A | 3-[2,4-(Disubstituted)-phenyl]azacycloalkanones as analgesics | PFIZER INC. (US) | 1981-04-21 | — | — | US | disclosed |
| US-4147872-A | 3-[2-Hydroxy-4-(substituted)-phenyl]azacycloalkanes and derivatives thereof as analgesic agents and intermediates therefor | PFIZER INC. (US) | 1979-04-03 | — | — | US | disclosed |
| US-4046901-A | HYPOTENSIVE AGENTS | ROUSSEL-UCLAF (FR) | 1977-09-06 | — | — | US | disclosed |