Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 6/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 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 | |
|---|---|---|---|---|
| SCHEMBL1822380 | 0.89 | PGR (0.50) | PGRHTR2AKDM4ECHEK1ATM | |
| SCHEMBL1821725 | 0.88 | BACE1 (0.49) | PGRHTR2AKDM4ECHEK1ATM | |
| SCHEMBL7949707 | 0.87 | HDAC3 (0.52) | PGRHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL4394504 | 0.87 | HDAC3 (0.55) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Hydrochloric Acid SCHEMBL3491998 | 0.86 | HDAC3 (0.54) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL7960189 | 0.85 | PGR (0.51) | PGRHTR2AKDM4ECHEK1XDH | |
| SCHEMBL2374444 | 0.84 | BACE1 (0.48) | PGRHTR2ACHEK1OTUD7B | |
| SCHEMBL1828376 | 0.83 | BACE1 (0.54) | PGRATM | |
| SCHEMBL2375693 | 0.83 | BACE1 (0.56) | PGRHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL7962235 | 0.83 | HTR2A (0.47) | PGRHDAC3HDAC4HDAC1HDAC7 |
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 | PGR 4654/4885HDAC3 1520/4885HDAC4 1303/4885 |
“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.