Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.74 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.74 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.74 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| 1,2-Dichlorobenzene SCHEMBL9702827 | 0.96 | SIGMAR1 (0.68) | SIGMAR1OPRK1OPRM1OPRD1ALDH1A1 | |
| 1,2-Dichlorobenzene SCHEMBL9702706 | 0.96 | SIGMAR1 (0.68) | SIGMAR1OPRK1OPRM1OPRD1ALDH1A1 | |
| 1,2-Dichlorobenzene SCHEMBL9643149 | 0.89 | SIGMAR1 (0.59) | SIGMAR1OPRK1OPRM1OPRD1ALDH1A1 | |
| SCHEMBL14367928 | 0.85 | OPRK1 (1.00) | SIGMAR1OPRK1OPRM1OPRD1ALDH1A1 | |
| SCHEMBL9748062 | 0.85 | OPRK1 (1.00) | SIGMAR1OPRK1OPRM1OPRD1ALDH1A1 | |
| SCHEMBL9748668 | 0.85 | OPRK1 (1.00) | SIGMAR1OPRK1OPRM1OPRD1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7077006 | 0.84 | OPRK1 (1.00) | SIGMAR1OPRK1OPRM1OPRD1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7077002 | 0.84 | OPRK1 (1.00) | SIGMAR1OPRK1OPRM1OPRD1ALDH1A1 | |
| SCHEMBL10589759 | 0.83 | SIGMAR1 (0.76) | SIGMAR1OPRK1OPRM1OPRD1MEN1 | |
| SCHEMBL9492767 | 0.83 | SIGMAR1 (0.73) | SIGMAR1OPRK1OPRM1OPRD1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5130329-A | Amino, amide substituted compounds | ROUSSEL UCLAF (FR) | 1992-07-14 | — | — | US | disclosed |
| US-5068244-A | Benzcarbocyclic amides with nitro groups | ROUSSEL UCLAF (FR) | 1991-11-26 | — | — | US | disclosed |