Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | NSD2 | O96028 | 1/20 | 0.42 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.42 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.42 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 8/20 | 0.40 |
| ▸ | CA12 | O43570 | 5/20 | 0.40 |
| ▸ | CA1 | P00915 | 5/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL395420 | 0.84 | CA2 (0.43) | L3MBTL1KDM4EALDH1A1POLBMEN1 | |
| SCHEMBL4638383 | 0.82 | CA12 (0.59) | L3MBTL1KDM4EALDH1A1POLBMEN1 | |
| SCHEMBL8169096 | 0.80 | ALDH1A1 (0.45) | KDM4EALDH1A1POLBMEN1NPC1 | |
| SCHEMBL10906258 | 0.80 | CA1 (0.49) | L3MBTL1ALDH1A1MEN1NPC1MAPT | |
| SCHEMBL27524554 | 0.79 | CA2 (0.43) | L3MBTL1KDM4EALDH1A1POLBMEN1 | |
| SCHEMBL30925348 | 0.78 | PTGES2 (0.45) | CA2CA12CA1CA9CA14 | |
| SCHEMBL1479996 | 0.78 | ALDH1A1 (0.59) | KDM4EALDH1A1CYP1A2MAPTCA2 | |
| SCHEMBL4781209 | 0.78 | CA1 (0.42) | KDM4EALDH1A1MEN1KMT2ACA2 | |
| SCHEMBL1807019 | 0.75 | L3MBTL1 (0.70) | L3MBTL1KDM4EALDH1A1POLBMEN1 | |
| SCHEMBL3736629 | 0.74 | ENPP2 (0.39) | KDM4EALDH1A1CYP1A2MAPTCA2 |
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 7 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 |
| EP-2539322-A1 | INHIBITORS OF BETA-SECRETASE | Vitae Pharmaceuticals, Inc. (US) | 2013-01-02 | — | — | EP | disclosed |
| WO-2011106414-A1 | INHIBITORS OF BETA-SECRETASE | DILLARD LAWRENCE W (US) | 2011-09-01 | — | — | 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 (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 | L3MBTL1 3803/4885KDM4E 2534/4885ALDH1A1 2481/4885 |
| US-20130053377-A1 | INHIBITORS OF BETA-SECRETASE | BACE1, BACE2, PSEN1 | L3MBTL1 3754/4885KDM4E 2390/4885ALDH1A1 2509/4885 |
“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.