Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.41 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.39 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.39 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6963144 | 0.88 | MAPT (0.47) | KDM4EMAPTSMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL3733960 | 0.83 | CYP1A2 (0.44) | KDM4ECYP1A2CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL6200087 | 0.81 | KDM4E (0.48) | KDM4ECYP1A2CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL4218764 | 0.81 | CYP1A2 (0.35) | KDM4ECYP1A2CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL198917 | 0.80 | KDM4E (0.59) | KDM4ECYP1A2CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL533385 | 0.79 | DYRK1A (0.47) | CYP1A2CYP2C9CYP2C19MAPTSMN1; SMN2 | |
| SCHEMBL8074390 | 0.79 | MAOB (0.51) | — | |
| SCHEMBL15473215 | 0.79 | KMT2A (0.57) | KDM4ECYP1A2CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL6883783 | 0.78 | SIRT1 (0.40) | KDM4EKMT2AMAPTMEN1SMN1; SMN2 | |
| SCHEMBL3741319 | 0.77 | ACACB (0.43) | KMT2AMAPTMEN1SMN1; SMN2LTA4H |
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-2231558-B1 | 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME (US) | 2014-09-03 | — | — | EP | disclosed |
| US-8354545-B2 | 3,4-substituted pyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease | Merck, Sharp & Dohme, Corp. (US) | 2013-01-15 | — | — | US | disclosed |
| US-20100280009-A1 | 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME LLC | 2010-11-04 | — | — | US | disclosed |
| EP-2231558-A1 | 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck Sharp & Dohme Corp. (US) | 2010-09-29 | — | — | EP | disclosed |
| WO-2009078932-A1 | 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2009-06-25 | — | — | 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-20100280009-A1 | 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | BACE1, BACE2, PSEN1 | KDM4E 876/4885CYP1A2 1143/4885CYP19A1 521/4885 |
“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.