Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP2 | O95551 | 1/20 | 0.40 |
| ▸ | PDE2A | O00408 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 4/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
| ▸ | PRKCA | P17252 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 4/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7539844 | 0.82 | TDP2 (0.39) | TDP2PDE2ABACE1HDAC4HDAC2 | |
| SCHEMBL8193402 | 0.73 | BACE1 (0.45) | BACE1 | |
| SCHEMBL13558601 | 0.72 | BACE1 (0.34) | BACE1 | |
| SCHEMBL14105254 | 0.71 | BACE1 (0.34) | BACE1 | |
| SCHEMBL13407699 | 0.71 | PGR (0.40) | TDP2BACE1 | |
| SCHEMBL7535594 | 0.70 | TNF (0.34) | BACE1GSK3BLMNA | |
| SCHEMBL7600162 | 0.69 | BACE1 (0.42) | BACE1 | |
| SCHEMBL8200831 | 0.67 | BACE1 (0.50) | TDP2PDE2ABACE1HDAC4HDAC2 | |
| SCHEMBL7535393 | 0.65 | BACE1 (0.48) | BACE1 | |
| SCHEMBL7604627 | 0.64 | BACE1 (0.35) | BACE1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8829036-B2 | Heterocyclic aspartyl protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-09-09 | — | — | US | disclosed |
| US-20120276118-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | PHARMACOPEIA INC. (US) | 2012-11-01 | — | — | US | disclosed |
| US-20120276118-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | PHARMACOPEIA INC. (US) | 2012-11-01 | — | — | US | disclosed |
| US-20120231018-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | PHARMACOPEIA INC. (US) | 2012-09-13 | — | — | US | disclosed |
| US-20120231017-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | PHARMACOPEIA INC. (US) | 2012-09-13 | — | — | 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 (3 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-20120276118-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | BACE1, PRSS1, TMPRSS11D | TDP2 463/4885PDE2A 1910/4885BACE1 1/4885 |
| US-20120231018-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | BACE1, PRSS1, TMPRSS11D | TDP2 463/4885PDE2A 1910/4885BACE1 1/4885 |
| US-20120231017-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | BACE1, PRSS1, TMPRSS11D | TDP2 463/4885PDE2A 1910/4885BACE1 1/4885 |
“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.