Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 13/20 | 0.51 |
| ▸ | MAOA | P21397 | 11/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | TOP1 | P11387 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 2/20 | 0.44 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.43 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.43 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.43 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12747655 | 0.89 | BACE1 (0.44) | MAOBMAOANPC1RAB9AHPGD | |
| SCHEMBL12747667 | 0.86 | BACE1 (0.50) | MAOBMAOATOP1KDM1AGRIN2D | |
| SCHEMBL12747715 | 0.86 | MAOB (0.55) | MAOBMAOANPC1RAB9ATOP1 | |
| SCHEMBL9948565 | 0.80 | MAOA (0.49) | MAOBMAOAPDK2 | |
| SCHEMBL9948622 | 0.80 | BACE1 (0.38) | MAOBMAOAHRH3PDK2 | |
| SCHEMBL20451538 | 0.80 | MAOA (0.49) | MAOBMAOAPDK2 | |
| SCHEMBL9947992 | 0.80 | BACE1 (0.50) | PDK2ALDH1A1NPSR1 | |
| SCHEMBL9948566 | 0.80 | MAOA (0.49) | MAOBMAOAPDK2 | |
| SCHEMBL9947994 | 0.80 | BACE1 (0.50) | PDK2ALDH1A1NPSR1 | |
| SCHEMBL7893883 | 0.79 | OPRM1 (0.41) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10336717-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, LLC (US) | 2019-07-02 | — | — | US | disclosed |
| 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 |
| 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 |
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-20140200223-A1 | INHIBITORS OF BETA-SECRETASE | BACE1, BACE2, PSEN1 | MAOB 1182/4885MAOA 1526/4885NPC1 183/4885 |
| US-10336717-B2 | Inhibitors of beta-secretase | BACE1, BACE2, PSEN1 | MAOB 1182/4885MAOA 1526/4885NPC1 183/4885 |
| US-20160272600-A1 | INHIBITORS OF BETA-SECRETASE | BACE1, BACE2, PSEN1 | MAOB 1182/4885MAOA 1526/4885NPC1 183/4885 |
| US-20110071126-A1 | INHIBITORS OF BETA-SECRETASE | BACE1, BACE2, PSEN1 | MAOB 1182/4885MAOA 1526/4885NPC1 183/4885 |
“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.