Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 3/20 | 0.57 |
| ▸ | DRD3 | P35462 | 3/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | DRD2 | P14416 | 1/20 | 0.57 |
| ▸ | DRD4 | P21917 | 1/20 | 0.57 |
| ▸ | CCR1 | P32246 | 1/20 | 0.41 |
| ▸ | BCL2 | P10415 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.34 |
| ▸ | HRH1 | P35367 | 2/20 | 0.34 |
| ▸ | HTR2B | P41595 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11428691 | 0.83 | DRD2 (0.81) | OPRM1DRD3CYP2D6DRD2DRD4 | |
| SCHEMBL9721564 | 0.78 | CCR1 (0.43) | OPRM1DRD3CYP2D6DRD2DRD4 | |
| SCHEMBL13235282 | 0.75 | BCL2 (0.56) | OPRM1DRD3CYP2D6BCL2SMN1; SMN2 | |
| SCHEMBL1508086 | 0.74 | CCR1 (0.42) | OPRM1DRD3CYP2D6DRD2DRD4 | |
| SCHEMBL7090276 | 0.74 | DRD2 (0.40) | OPRM1DRD3CYP2D6DRD2DRD4 | |
| Hydrochloric Acid SCHEMBL10920205 | 0.73 | OPRM1 (0.55) | OPRM1DRD3CYP2D6DRD2DRD4 | |
| SCHEMBL24683553 | 0.73 | OPRM1 (1.00) | OPRM1DRD3CYP2D6DRD2DRD4 | |
| SCHEMBL11036188 | 0.72 | CYP2D6 (0.41) | OPRM1DRD3CYP2D6DRD2DRD4 | |
| Hydrochloric Acid SCHEMBL10710853 | 0.71 | CYP2D6 (0.56) | OPRM1DRD3CYP2D6DRD2DRD4 | |
| SCHEMBL9426695 | 0.70 | DRD2 (0.58) | OPRM1DRD3CYP2D6DRD2DRD4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0026989-B1 | NITROSOUREA DERIVATIVES, PROCESS FOR PREPARING THEM, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | KEFALAS A/S (DK) | 1984-04-18 | — | — | EP | disclosed |
| US-4384140-A | INTERMEDIATES FOR THE ANTITUMOR N-NITROCO COMPOUNDS | KEFALAS A/S (DK) | 1983-05-17 | — | — | US | disclosed |
| US-4367239-A | Nitrosourea derivatives, pharmaceutical compositions thereof and method of preparation | KEFALAS A/S (DK) | 1983-01-04 | — | — | US | disclosed |
| EP-0026989-A2 | Nitrosourea derivatives, process for preparing them, and pharmaceutical compositions containing them | KEFALAS A/S (DK) | 1981-04-15 | — | — | EP | disclosed |