Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 11/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | DRD4 | P21917 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.53 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL14367939 | 0.88 | OPRK1 (0.73) | OPRK1SIGMAR1NPC1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL5630292 | 0.87 | OPRK1 (0.71) | OPRK1SIGMAR1NPC1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL5630297 | 0.87 | OPRK1 (0.71) | OPRK1SIGMAR1NPC1CYP1A2CYP3A4 | |
| SCHEMBL9649179 | 0.85 | OPRK1 (0.72) | OPRK1NPC1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9652026 | 0.84 | OPRK1 (0.56) | OPRK1SIGMAR1OPRD1OPRM1HTT | |
| Fumaric Acid SCHEMBL9650695 | 0.84 | BLM (0.70) | OPRK1SIGMAR1NPC1CYP1A2CYP3A4 | |
| Maleic Acid SCHEMBL9650688 | 0.84 | BLM (0.70) | OPRK1SIGMAR1NPC1CYP1A2CYP3A4 | |
| SCHEMBL10416432 | 0.83 | OPRK1 (0.62) | OPRK1NPC1CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL7170793 | 0.82 | OPRK1 (0.52) | OPRK1SIGMAR1NPC1CYP1A2CYP3A4 | |
| SCHEMBL20528042 | 0.81 | SIGMAR1 (0.51) | SIGMAR1HTT |
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-5116842-A | Analgesics | GLAXO GROUP LIMITED (GB) | 1992-05-26 | — | — | US | disclosed |
| EP-0398720-A2 | Piperazine derivatives | GLAXO GROUP LIMITED (GB) | 1990-11-22 | — | — | EP | disclosed |
| US-4943578-A | ANALGESICS; CEREBRAL ANTIISCHEMIC AGENTS | GLAXO GROUP LIMITED (GB) | 1990-07-24 | — | — | US | disclosed |
| EP-0343900-A2 | Piperazine compounds | GLAXO GROUP LIMITED (GB) | 1989-11-29 | — | — | EP | disclosed |