Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | JAK3 | P52333 | 2/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.35 |
| ▸ | DRD1 | P21728 | 4/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.35 |
| ▸ | HTR2A | P28223 | 3/20 | 0.35 |
| ▸ | HRH1 | P35367 | 3/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5760390 | 1.00 | CYP2D6 (0.40) | CYP2D6CYP2C19JAK3JAK2LCK | |
| SCHEMBL5762548 | 0.88 | DRD2 (0.40) | CYP2D6LCKCHRM2HRH1CYP1A2 | |
| SCHEMBL5762551 | 0.88 | DRD2 (0.40) | CYP2D6LCKCHRM2HRH1CYP1A2 | |
| SCHEMBL5763454 | 0.87 | JAK3 (0.37) | CYP2D6CYP2C19JAK3JAK2LCK | |
| SCHEMBL5763456 | 0.87 | JAK3 (0.37) | CYP2D6CYP2C19JAK3JAK2LCK | |
| SCHEMBL5762591 | 0.82 | POLB (0.36) | CYP2A6 | |
| SCHEMBL5762588 | 0.82 | POLB (0.36) | CYP2A6 | |
| SCHEMBL2478228 | 0.81 | LCK (0.48) | CYP2D6CYP2C19JAK3JAK2LCK | |
| Hydrochloric Acid SCHEMBL4802990 | 0.80 | LCK (0.47) | CYP2D6CYP2C19JAK3JAK2LCK | |
| SCHEMBL5762610 | 0.80 | GBA1 (0.42) | JAK2LMNASMN1; SMN2MEN1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1458683-B1 | HETEROARYL-SUBSTITUTED AMINOCYCLOHEXANE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-11-22 | — | — | EP | disclosed |
| US-7012077-B2 | Substituted cyclohexane derivatives | HOFFMANN-LA ROCHE INC. (US) | 2006-03-14 | — | — | US | disclosed |
| EP-1458683-A1 | HETEROARYL-SUBSTITUTED AMINOCYCLOHEXANE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2004-09-22 | — | — | EP | disclosed |
| US-20030186984-A1 | Substituted cyclohexane derivatives | HOFFMAN-LA ROCHE INC. | 2003-10-02 | — | — | US | disclosed |
| WO-2003053933-A1 | HETEROARYL-SUBSTITUTED AMINOCYCLOHEXANE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2003-07-03 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030186984-A1 | Substituted cyclohexane derivatives | CYP51A1, LSS, CYP46A1 | CYP2D6 86/4885CYP2C19 299/4885JAK3 4071/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.