Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSEN1 | P49768 | 2/20 | 0.35 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.35 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.35 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.35 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.35 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 9/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 9/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.34 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.34 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
| ▸ | PPARA | Q07869 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6094846 | 1.00 | PSEN1 (0.35) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL5793418 | 0.78 | AKR1C3 (0.46) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL5767227 | 0.78 | AKR1C3 (0.46) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL6094841 | 0.75 | PSEN1 (0.37) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| Hydrochloric Acid SCHEMBL4612487 | 0.71 | ALDH1A1 (0.40) | AKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL2016945 | 0.70 | CYP2C19 (0.52) | — | |
| SCHEMBL25201694 | 0.69 | L3MBTL1 (0.42) | AKR1C3AKR1C2AKR1C1PTGS1PTGS2 | |
| SCHEMBL30387958 | 0.69 | L3MBTL1 (0.42) | AKR1C3AKR1C2AKR1C1PTGS1PTGS2 | |
| SCHEMBL31477566 | 0.68 | CPN1 (0.39) | AKR1C3AKR1C2AKR1C1PTGS1PTGS2 | |
| SCHEMBL29211037 | 0.67 | ESR1 (0.51) | AKR1C3AKR1C2AKR1C1PTGS1PTGS2 |
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-7105507-B2 | Cyclohexane derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LIMITED (GB) | 2006-09-12 | — | — | US | disclosed |
| US-20030236250-A1 | Cyclohexane derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LTD. (GB) | 2003-12-25 | — | — | US | 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-20030236250-A1 | Cyclohexane derivatives and their use as therapeutic agents | CNR2, CNR1, HTR1A | PSEN1 549/4885PSEN2 796/4885APH1B 980/4885 |
“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.