Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 11/20 | 0.56 |
| ▸ | AKR1C2 | P52895 | 11/20 | 0.56 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | TACR1 | P25103 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.43 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.43 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.43 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.43 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.43 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1972547 | 1.00 | AKR1C3 (0.56) | AKR1C3AKR1C2CES2TACR1ALDH1A1 | |
| SCHEMBL5766758 | 1.00 | AKR1C3 (0.56) | AKR1C3AKR1C2CES2TACR1ALDH1A1 | |
| SCHEMBL28827284 | 0.98 | AKR1C3 (0.55) | AKR1C3AKR1C2CES2TACR1ALDH1A1 | |
| SCHEMBL585616 | 0.89 | AKR1C3 (0.48) | AKR1C3AKR1C2CES2TACR1KCNH2 | |
| SCHEMBL27501994 | 0.89 | AKR1C3 (0.51) | AKR1C3AKR1C2KCNH2PSEN1PSEN2 | |
| SCHEMBL2184195 | 0.89 | AKR1C3 (0.48) | AKR1C3AKR1C2CES2TACR1KCNH2 | |
| SCHEMBL2183207 | 0.88 | NOTUM (0.47) | AKR1C3AKR1C2 | |
| SCHEMBL29009961 | 0.88 | AKR1C3 (0.47) | AKR1C3AKR1C2TACR1ALDH1A1KCNH2 | |
| SCHEMBL28018301 | 0.86 | CES2 (0.48) | AKR1C3AKR1C2CES2TACR1ALDH1A1 | |
| SCHEMBL586419 | 0.85 | AKR1C3 (0.54) | AKR1C3AKR1C2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7253205-B2 | Gem-disubstituted cyclohexane derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LIMITED (GB) | 2007-08-07 | — | — | US | disclosed |
| EP-1286967-B1 | CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME (GB) | 2006-09-27 | — | — | EP | disclosed |
| US-7105507-B2 | Cyclohexane derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LIMITED (GB) | 2006-09-12 | — | — | US | disclosed |
| US-20040171642-A1 | Gem-disubstituted cyclohexane derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LTD. (GB) | 2004-09-02 | — | — | US | disclosed |
| US-20030236250-A1 | Cyclohexane derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LTD. (GB) | 2003-12-25 | — | — | US | disclosed |
| EP-1286967-A1 | CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 2003-03-05 | — | — | EP | disclosed |
| WO-2001087838-A1 | CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 2001-11-22 | — | — | 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 (2 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-20040171642-A1 | Gem-disubstituted cyclohexane derivatives and their use as therapeutic agents | CNR2, CNR1, PTGS1 | AKR1C3 1798/4885AKR1C2 2612/4885CES2 1812/4885 |
| US-20030236250-A1 | Cyclohexane derivatives and their use as therapeutic agents | CNR2, CNR1, HTR1A | AKR1C3 1080/4885AKR1C2 2004/4885CES2 811/4885 |
“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.