Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 15/20 | 0.67 |
| ▸ | CTSD | P07339 | 13/20 | 0.56 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8187867 | 1.00 | BACE1 (0.67) | BACE1CTSDEPHX1NPC1RAB9A | |
| SCHEMBL12410142 | 0.92 | BACE1 (0.57) | BACE1CTSDEPHX1NPC1RAB9A | |
| SCHEMBL7540070 | 0.92 | BACE1 (0.66) | BACE1CTSDEPHX1RAB9ASMN1; SMN2 | |
| SCHEMBL12173877 | 0.92 | BACE1 (0.66) | BACE1CTSDEPHX1RAB9ASMN1; SMN2 | |
| SCHEMBL8198984 | 0.92 | BACE1 (0.66) | BACE1CTSDEPHX1RAB9ASMN1; SMN2 | |
| SCHEMBL7539501 | 0.91 | BACE1 (0.56) | BACE1CTSDEPHX1NPC1RAB9A | |
| SCHEMBL8195387 | 0.91 | BACE1 (0.56) | BACE1CTSDEPHX1NPC1RAB9A | |
| SCHEMBL7536850 | 0.90 | BACE1 (0.68) | BACE1CTSDEPHX1NPC1RAB9A | |
| SCHEMBL7541634 | 0.90 | BACE1 (0.55) | BACE1CTSDEPHX1NPC1RAB9A | |
| SCHEMBL13407690 | 0.90 | BACE1 (0.55) | BACE1CTSDEPHX1NPC1RAB9A |
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-20120276118-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | PHARMACOPEIA INC. (US) | 2012-11-01 | — | — | US | disclosed |
| US-8183252-B2 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2012-05-22 | — | — | US | disclosed |
| US-8183252-B2 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2012-05-22 | — | — | US | disclosed |
| US-20100292203-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION | 2010-11-18 | — | — | US | disclosed |
| US-20100292203-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION | 2010-11-18 | — | — | 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 (2 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-20100292203-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | CHRM1, CHRM2, PRSS1 | BACE1 8/4885CTSD 13/4885EPHX1 765/4885 |
| US-20120276118-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | BACE1, PRSS1, TMPRSS11D | BACE1 1/4885CTSD 8/4885EPHX1 961/4885 |
“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.