Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 10/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12600135 | 0.85 | CYP2D6 (0.35) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL12600127 | 0.85 | ROCK2 (0.42) | ROCK2NR3C1 | |
| SCHEMBL12600146 | 0.83 | DRD2 (0.33) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL12600131 | 0.80 | KDM4E (0.43) | NOTUMNR3C1KDM4EALDH1A1HTT | |
| SCHEMBL12600084 | 0.79 | CYP2D6 (0.39) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL12600159 | 0.79 | ROCK2 (0.33) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL22397218 | 0.79 | DRD2 (0.35) | DRD2KDM4EALDH1A1HTTTHRB | |
| SCHEMBL2818376 | 0.77 | TAS1R3 (0.39) | KDM4ETHRB | |
| SCHEMBL12600156 | 0.76 | ALDH1A1 (0.41) | ROCK2KDM4EALDH1A1 | |
| SCHEMBL12600052 | 0.76 | SMN1; SMN2 (0.41) | DRD2KDM4EALDH1A1HTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7935827-B2 | Optically active, heteroaromatic β-hydroxy esters and processes for their preparation from β-keto esters and processes for the preparation of these β-keto esters | BAYER SCHERING PHARMA AG (DE) | 2011-05-03 | — | — | US | disclosed |
| US-20100248313-A1 | NOVEL OPTICALLY ACTIVE, HETEROAROMATIC BETA-HYDROXY ESTERS AND PROCESSES FOR THEIR PREPARATION FROM BETA-KETO ESTERS AND PROCESSES FOR THE PREPARATION OF THESE BETA-KETO ESTERS | BAYER SCHERING PHARMA AG (DE) | 2010-09-30 | — | — | US | disclosed |
| US-7626035-B2 | Ethyl 2-(benzothiazol-2-yl),2-oxo-acetate; useful in the synthesis of epothilonederivatives; antitumor,-carcinogenic agents; high chemical purity, optical purity,in very good yields and allows an industrial-scale production | BAYER SCHERING PHARMA AG (DE) | 2009-12-01 | — | — | 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-20100248313-A1 | NOVEL OPTICALLY ACTIVE, HETEROAROMATIC BETA-HYDROXY ESTERS AND PROCESSES FOR THEIR PREPARATION FROM BETA-KETO ESTERS AND PROCESSES FOR THE PREPARATION OF THESE BETA-KETO ESTERS | CYP8B1, HSD17B7, CYP51A1 | CYP2D6 379/4885SLC6A2 4684/4885SLC6A4 3948/4885 |
“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.