Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 2/20 | 0.36 |
| ▸ | CA5A | P35218 | 2/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL20269201 | 0.76 | CYP2D6 (0.48) | ALDH1A1POLBSMN1; SMN2TDP1 | |
| SCHEMBL24086516 | 0.75 | ALDH1A1 (0.45) | EPHX1ALDH1A1POLBSMN1; SMN2MEN1 | |
| SCHEMBL19882870 | 0.72 | ALDH1A1 (0.46) | EPHX1ALDH1A1POLBSMN1; SMN2MEN1 | |
| SCHEMBL21361578 | 0.71 | SYK (0.43) | MEN1KMT2ACA2CA14CA12 | |
| SCHEMBL20285639 | 0.71 | SYK (0.43) | MEN1KMT2ACA2CA14CA12 | |
| SCHEMBL7444194 | 0.71 | CYP2D6 (0.52) | EPHX1ALDH1A1POLBSMN1; SMN2MEN1 | |
| SCHEMBL6691462 | 0.71 | — | — | |
| Trifluoroacetic Acid SCHEMBL9352655 | 0.70 | GABRR1 (0.42) | EPHX1ALDH1A1POLBSMN1; SMN2MEN1 | |
| SCHEMBL20500074 | 0.70 | ALDH1A1 (0.48) | EPHX1ALDH1A1POLBSMN1; SMN2MEN1 | |
| SCHEMBL4683204 | 0.69 | ALDH1A1 (0.43) | EPHX1ALDH1A1POLBSMN1; SMN2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9045500-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, INC. (US) | 2015-06-02 | — | — | US | disclosed |
| US-20150031691-A1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. | 2015-01-29 | — | — | US | disclosed |
| US-8889703-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, INC. (US) | 2014-11-18 | — | — | US | disclosed |
| EP-2539322-B1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS INC (US) | 2014-01-01 | — | — | EP | disclosed |
| US-20130053377-A1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2013-02-28 | — | — | 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 (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-20150031691-A1 | INHIBITORS OF BETA-SECRETASE | BACE1, BACE2, PSEN1 | EPHX1 818/4885ALDH1A1 2481/4885POLB 2537/4885 |
| US-20130053377-A1 | INHIBITORS OF BETA-SECRETASE | BACE1, BACE2, PSEN1 | EPHX1 794/4885ALDH1A1 2509/4885POLB 2515/4885 |
“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.