Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.42 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.42 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5030182 | 1.00 | TDP1 (0.51) | TDP1EPHX1KMT2AMEN1GAA | |
| SCHEMBL12648114 | 0.93 | EPHX1 (0.55) | TDP1EPHX1KMT2AMEN1GAA | |
| SCHEMBL6243164 | 0.89 | TDP1 (0.59) | TDP1EPHX1KMT2AMEN1GAA | |
| SCHEMBL7816256 | 0.87 | TDP1 (0.61) | TDP1EPHX1KMT2AMEN1GAA | |
| SCHEMBL4433319 | 0.87 | EPHX1 (0.50) | TDP1EPHX1KMT2AMEN1GAA | |
| SCHEMBL4433316 | 0.87 | EPHX1 (0.50) | TDP1EPHX1KMT2AMEN1GAA | |
| SCHEMBL27808853 | 0.87 | EPHX1 (0.50) | TDP1EPHX1KMT2AMEN1GAA | |
| SCHEMBL27663316 | 0.86 | EPHX1 (0.38) | TDP1EPHX1KMT2AMEN1GAA | |
| SCHEMBL23235247 | 0.85 | EPHX1 (0.49) | TDP1EPHX1KMT2AMEN1GAA | |
| SCHEMBL346052 | 0.85 | EPHX1 (0.49) | TDP1EPHX1KMT2AMEN1GAA |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7442791-B2 | Aminoalkylamide substituted cyclohexyl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2008-10-28 | — | — | US | disclosed |
| EP-1768658-A1 | HYDROXYALKYLAMIDES | F.HOFFMANN-LA ROCHE AG (CH) | 2007-04-04 | — | — | EP | disclosed |
| EP-1456171-B1 | SUBSTITUTED CYCLOHEXANE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-12-20 | — | — | EP | disclosed |
| WO-2006125451-A1 | HYDROXYALKYLAMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-11-30 | — | — | WO | disclosed |
| EP-1458683-B1 | HETEROARYL-SUBSTITUTED AMINOCYCLOHEXANE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-11-22 | — | — | EP | disclosed |
| EP-1667962-A1 | AMINOALKYLAMIDE SUBSTITUTED CYCLOHEXYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-06-14 | — | — | EP | disclosed |
| US-7012077-B2 | Substituted cyclohexane derivatives | HOFFMANN-LA ROCHE INC. (US) | 2006-03-14 | — | — | US | disclosed |
| US-20050272774-A1 | Substituted cyclohexane derivatives | ACKERMANN JEAN | 2005-12-08 | — | — | US | disclosed |
| US-6965048-B2 | Hydroxyalkylamide derivatives | HOFFMANN-LA ROCHE INC. (US) | 2005-11-15 | — | — | US | disclosed |
| US-6953806-B2 | Substituted cyclohexane derivatives | HOFFMANN-LA ROCHE INC. (US) | 2005-10-11 | — | — | US | disclosed |
| US-20050009906-A1 | e.g., N-{4-[3-(4-Hydroxy-piperidin-1-yl)-3-oxo-propoxy]-cyclohexyl}-N-methyl-4-trifluoromethyl-benzenesulfonamide and p-chlorophenyl methyl-(2-{4-[methyl-(2-methylcarbamoyl-ethyl)-carbamoyl]-cyclohexyl}-ethyl)-carbamate | F. HOFFMAN-LA ROCHE AG (CH) | 2005-01-13 | — | — | US | disclosed |
| EP-1458683-A1 | HETEROARYL-SUBSTITUTED AMINOCYCLOHEXANE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2004-09-22 | — | — | EP | disclosed |
| EP-1456171-A1 | SUBSTITUTED CYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-09-15 | — | — | EP | disclosed |
| US-20030199550-A1 | Substituted cyclohexane derivatives | F.HOFFMANN-LA ROCHE AG (CH) | 2003-10-23 | — | — | US | 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 |
| WO-2003053919-A1 | SUBSTITUTED CYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA-ROCHE AG (CH) | 2003-07-03 | — | — | WO | disclosed |
| EP-0798298-B1 | THIAZOLIDINONE OR OXAZOLIDINONE DERIVATIVES TO TREAT ANGINA PECTORIS OR COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENT | SANKYO CO (JP) | 2001-08-08 | — | — | EP | disclosed |
| US-5843973-A | Thiazolidinone compounds and composition for angina pectoris comprising the compounds as an active ingredient | SANKYO COMPANY, LIMITED (JP) | 1998-12-01 | — | — | US | disclosed |
| EP-0798298-A1 | THIAZOLIDINONE COMPOUNDS OR ANGINA PECTORIS REMEDY OR PREVENTIVE CONTAINING THE SAME AS ACTIVE INGREDIENT | SANKYO COMPANY LIMITED (JP) | 1997-10-01 | — | — | EP | 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 (4 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-20050272774-A1 | Substituted cyclohexane derivatives | LSS, CYP51A1, CYP8B1 | TDP1 3462/4885EPHX1 512/4885KMT2A 3669/4885 |
| US-20030186984-A1 | Substituted cyclohexane derivatives | CYP51A1, LSS, CYP46A1 | TDP1 2759/4885EPHX1 506/4885KMT2A 2898/4885 |
| US-20030199550-A1 | Substituted cyclohexane derivatives | CYP51A1, LSS, CYP46A1 | TDP1 2476/4885EPHX1 646/4885KMT2A 3436/4885 |
| US-20050009906-A1 | e.g., N-{4-[3-(4-Hydroxy-piperidin-1-yl)-3-oxo-propoxy]-cyclohexyl}-N-methyl-4-trifluoromethyl-benzenesulfonamide and p-chlorophenyl methyl-(2-{4-[methyl-(2-methylcarbamoyl-ethyl)-carbamoyl]-cyclohexyl}-ethyl)-carbamate | CYP51A1, CYP46A1, LSS | TDP1 3362/4885EPHX1 876/4885KMT2A 916/4885 |
“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.