Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | METAP1 | P53582 | 1/20 | 0.45 |
| ▸ | S100A4 | P26447 | 1/20 | 0.42 |
| ▸ | BCL2 | P10415 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | TDP2 | O95551 | 2/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 3/20 | 0.39 |
| ▸ | MAOB | P27338 | 3/20 | 0.39 |
| ▸ | CMA1 | P23946 | 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 | |
|---|---|---|---|---|
| SCHEMBL13717080 | 1.00 | ALDH1A1 (0.59) | ALDH1A1CYP1A2CYP2C19TDP1L3MBTL1 | |
| SCHEMBL3965519 | 1.00 | ALDH1A1 (0.59) | ALDH1A1CYP1A2CYP2C19TDP1L3MBTL1 | |
| SCHEMBL3972234 | 0.90 | ALDH1A1 (0.59) | ALDH1A1CYP1A2CYP2C19TDP1L3MBTL1 | |
| SCHEMBL13716800 | 0.90 | ALDH1A1 (0.59) | ALDH1A1CYP1A2CYP2C19TDP1L3MBTL1 | |
| SCHEMBL3972232 | 0.90 | ALDH1A1 (0.59) | ALDH1A1CYP1A2CYP2C19TDP1L3MBTL1 | |
| SCHEMBL12797336 | 0.82 | L3MBTL1 (0.51) | ALDH1A1CYP1A2CYP2C19TDP1L3MBTL1 | |
| SCHEMBL1720607 | 0.79 | ALDH1A1 (0.59) | ALDH1A1CYP1A2CYP2C19METAP1CA1 | |
| SCHEMBL1719743 | 0.79 | ALDH1A1 (0.59) | ALDH1A1CYP1A2CYP2C19METAP1CA1 | |
| SCHEMBL17336561 | 0.79 | ALDH1A1 (0.59) | ALDH1A1CYP1A2CYP2C19METAP1TDP2 | |
| SCHEMBL1720606 | 0.79 | ALDH1A1 (0.59) | ALDH1A1CYP1A2CYP2C19METAP1CA1 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160272600-A1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, LLC | 2016-09-22 | — | — | US | disclosed |
| US-20160272600-A1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, LLC | 2016-09-22 | — | — | US | disclosed |
| EP-2406240-B1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS INC (US) | 2015-12-23 | — | — | EP | disclosed |
| US-9212153-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, INC. (US) | 2015-12-15 | — | — | US | disclosed |
| EP-2801570-A1 | Inhibitors of beta-secretase | Vitae Pharmaceuticals, Inc. (US) | 2014-11-12 | — | — | EP | disclosed |
| US-20140200223-A1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. | 2014-07-17 | — | — | US | disclosed |
| US-20140200223-A1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. | 2014-07-17 | — | — | US | disclosed |
| US-8633212-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, INC. (US) | 2014-01-21 | — | — | US | disclosed |
| US-8633212-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, INC. (US) | 2014-01-21 | — | — | US | disclosed |
| US-20110071126-A1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. | 2011-03-24 | — | — | US | disclosed |
| US-20110071126-A1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. | 2011-03-24 | — | — | US | disclosed |
| WO-2010105179-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-09-16 | — | — | WO | disclosed |
| US-7572809-B2 | Isoquinoline aminopyrazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-08-11 | — | — | US | disclosed |
| EP-1966190-A1 | ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER | F.HOFFMANN-LA ROCHE AG (CH) | 2008-09-10 | — | — | EP | disclosed |
| US-20070179151-A1 | Isoquinoline aminopyrazole derivatives | F. HOFMANN-LA ROCHE AG (CH) | 2007-08-02 | — | — | US | disclosed |
| WO-2007071348-A1 | ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2007-06-28 | — | — | 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 (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-20070179151-A1 | Isoquinoline aminopyrazole derivatives | CYP3A5, CYP3A43, CYP3A4 | ALDH1A1 198/4885CYP1A2 9/4885CYP2C19 17/4885 |
| US-20140200223-A1 | INHIBITORS OF BETA-SECRETASE | BACE1, BACE2, PSEN1 | ALDH1A1 2962/4885CYP1A2 3043/4885CYP2C19 2391/4885 |
| US-20160272600-A1 | INHIBITORS OF BETA-SECRETASE | BACE1, BACE2, PSEN1 | ALDH1A1 2962/4885CYP1A2 3043/4885CYP2C19 2391/4885 |
| US-20110071126-A1 | INHIBITORS OF BETA-SECRETASE | BACE1, BACE2, PSEN1 | ALDH1A1 2962/4885CYP1A2 3043/4885CYP2C19 2391/4885 |
“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.