Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 3/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17460178 | 0.89 | SIGMAR1 (0.47) | HTR2APGREPHX2SIGMAR1EPHX1 | |
| SCHEMBL7949753 | 0.89 | PGR (0.44) | HTR2APGREPHX2HDAC3HDAC4 | |
| SCHEMBL7952416 | 0.86 | SLC6A7 (0.50) | HTR2APGREPHX2BACE1EPHX1 | |
| SCHEMBL7964219 | 0.86 | BACE1 (0.38) | HTR2APGRBACE1MCHR1 | |
| SCHEMBL1822380 | 0.85 | PGR (0.50) | HTR2APGRBACE1XDHSLC22A12 | |
| SCHEMBL1821725 | 0.84 | BACE1 (0.49) | HTR2APGREPHX2BACE1EPHX1 | |
| SCHEMBL2375693 | 0.84 | BACE1 (0.56) | HTR2APGREPHX2HDAC3HDAC4 | |
| SCHEMBL7959977 | 0.83 | PGR (0.50) | HTR2APGRHDAC3HDAC4HDAC1 | |
| SCHEMBL1829154 | 0.82 | PGR (0.45) | HTR2APGREPHX2HSD11B1BACE1 | |
| SCHEMBL7960189 | 0.82 | PGR (0.51) | HTR2APGRBACE1XDHSLC22A12 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8921359-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, INC. (US) | 2014-12-30 | — | — | US | disclosed |
| US-8921359-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, INC. (US) | 2014-12-30 | — | — | US | disclosed |
| EP-2324032-B1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS INC (US) | 2014-10-01 | — | — | EP | disclosed |
| US-8450308-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, INC. (US) | 2013-05-28 | — | — | US | disclosed |
| US-8450308-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, INC. (US) | 2013-05-28 | — | — | US | disclosed |
| US-20110218192-A1 | Inhibitors Of Beta-Secretase | VITAE PHARMACEUTICALS, INC. (US) | 2011-09-08 | — | — | US | disclosed |
| US-20110218192-A1 | Inhibitors Of Beta-Secretase | VITAE PHARMACEUTICALS, INC. (US) | 2011-09-08 | — | — | US | disclosed |
| WO-2010021680-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-02-25 | — | — | 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-20110218192-A1 | Inhibitors Of Beta-Secretase | BACE1, BACE2, APP | HTR2A 4006/4885PGR 4654/4885EPHX2 1305/4885 |
“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.