Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 7/20 | 0.38 |
| ▸ | DYRK1B | Q9Y463 | 6/20 | 0.38 |
| ▸ | BACE1 | P56817 | 4/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.34 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.33 |
| ▸ | CTSD | P07339 | 2/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.33 |
| ▸ | CLK1 | P49759 | 1/20 | 0.33 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12190941 | 0.89 | ROCK1 (0.33) | — | |
| SCHEMBL7572770 | 0.84 | DYRK1A (0.38) | DYRK1ADYRK1BBACE1CYP11B1CYP11B2 | |
| SCHEMBL7546257 | 0.84 | DYRK1A (0.38) | DYRK1ADYRK1BBACE1CYP11B1CYP11B2 | |
| SCHEMBL13558849 | 0.83 | HSD17B1 (0.36) | BACE1CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL12191111 | 0.83 | BACE1 (0.33) | BACE1 | |
| SCHEMBL7575947 | 0.83 | BACE1 (0.45) | BACE1BACE2CTSD | |
| SCHEMBL13054025 | 0.83 | BACE1 (0.45) | BACE1BACE2CTSD | |
| SCHEMBL13558883 | 0.83 | CYP11B1 (0.36) | DYRK1ABACE1CYP11B1CYP11B2CYP1A2 | |
| SCHEMBL7601074 | 0.83 | CYP3A4 (0.31) | BACE1CYP3A4 | |
| SCHEMBL13558842 | 0.81 | CDC7 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 (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-20120231017-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | BACE1, PRSS1, TMPRSS11D | DYRK1A 3744/4885DYRK1B 3867/4885BACE1 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.