Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 3/20 | 0.63 |
| ▸ | CTSS | P25774 | 5/20 | 0.59 |
| ▸ | CTSK | P43235 | 5/20 | 0.59 |
| ▸ | CTSB | P07858 | 2/20 | 0.59 |
| ▸ | CTSL | P07711 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.53 |
| ▸ | REN | P00797 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | AKT1 | P31749 | 1/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | PPARA | Q07869 | 2/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL17695878 | 1.00 | ACE (0.63) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL6876021 | 1.00 | ACE (0.63) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL1790253 | 0.91 | ACE (0.70) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL19704254 | 0.90 | ACE (0.63) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL6332454 | 0.90 | ACE (0.68) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL9832078 | 0.89 | ACE (0.67) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL9482703 | 0.89 | ACE (0.67) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL32683802 | 0.88 | CTSS (0.59) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL12122453 | 0.87 | CTSS (0.64) | ACECTSSCTSKCTSBCTSL | |
| SCHEMBL1273042 | 0.87 | CTSS (0.64) | ACECTSSCTSKCTSBCTSL |
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-8163749-B2 | Six-membered heterocycles useful as serine protease inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-04-24 | — | — | US | disclosed |
| US-20090181983-A1 | SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL -MEYERS SQUIBB COMPANY | 2009-07-16 | — | — | US | disclosed |
| EP-1432678-A1 | HIV PROTEASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-06-30 | — | — | EP | disclosed |
| US-6632826-B1 | Carbocyclic HIV protease inhibitors | HOFFMANN-LA ROCHE INC. | 2003-10-14 | — | — | US | disclosed |
| WO-2003029206-A1 | PREPARATION OF HIV PROTEASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-04-10 | — | — | 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-20090181983-A1 | SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | TFPI, F11, F12 | ACE 233/4885CTSS 173/4885CTSK 144/4885 |
“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.