Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | CTSS | P25774 | 2/20 | 0.43 |
| ▸ | CTSK | P43235 | 2/20 | 0.43 |
| ▸ | BTK | Q06187 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | NPR3 | P17342 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30231048 | 1.00 | AAK1 (0.48) | AAK1GAAEPHX1HDAC4HDAC1 | |
| SCHEMBL29050430 | 1.00 | AAK1 (0.48) | AAK1GAAEPHX1HDAC4HDAC1 | |
| SCHEMBL13622684 | 1.00 | AAK1 (0.48) | AAK1GAAEPHX1HDAC4HDAC1 | |
| SCHEMBL9108577 | 0.92 | AAK1 (0.50) | AAK1HDAC4HDAC1HDAC6CTSS | |
| SCHEMBL9108583 | 0.92 | AAK1 (0.50) | AAK1HDAC4HDAC1HDAC6CTSS | |
| SCHEMBL22139366 | 0.92 | AAK1 (0.50) | AAK1HDAC4HDAC1HDAC6CTSS | |
| SCHEMBL24103537 | 0.86 | AAK1 (0.46) | AAK1HDAC4HDAC1HDAC6CTSS | |
| SCHEMBL13576793 | 0.86 | AAK1 (0.46) | AAK1HDAC4HDAC1HDAC6CTSS | |
| SCHEMBL30231084 | 0.86 | AAK1 (0.46) | AAK1HDAC4HDAC1HDAC6CTSS | |
| SCHEMBL844823 | 0.86 | CTSS (0.47) | AAK1GAAEPHX1HDAC4HDAC1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8729114-B2 | Heteroaryl nitrile compounds useful as inhibitors of Cathepsin-S | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-05-20 | — | — | US | disclosed |
| US-8729114-B2 | Heteroaryl nitrile compounds useful as inhibitors of Cathepsin-S | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-05-20 | — | — | US | disclosed |
| US-20130158018-A1 | Heteroaryl Nitrile Compounds Useful as Inhibitors of Cathepsin-S | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-20 | — | — | US | disclosed |
| US-20130158018-A1 | Heteroaryl Nitrile Compounds Useful as Inhibitors of Cathepsin-S | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-20 | — | — | US | disclosed |
| EP-1730142-B1 | NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS | SCHERING CORP (US) | 2011-06-29 | — | — | EP | disclosed |
| US-7825152-B2 | serine protease inhibitors, for the treatment of hepatitis c virus infections | NOVARTIS AG (CH) | 2010-11-02 | — | — | US | disclosed |
| US-7825152-B2 | serine protease inhibitors, for the treatment of hepatitis c virus infections | NOVARTIS AG (CH) | 2010-11-02 | — | — | US | disclosed |
| US-20070286842-A1 | Organic Compounds and Their Uses | NOVARTIS AG (CH) | 2007-12-13 | — | — | US | disclosed |
| US-20070286842-A1 | Organic Compounds and Their Uses | NOVARTIS AG (CH) | 2007-12-13 | — | — | US | disclosed |
| WO-2005085242-A1 | NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS | SCHERING CORPORATION (US) | 2005-09-15 | — | — | 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 (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-20070286842-A1 | Organic Compounds and Their Uses | OAT, OTC, AOX1 | AAK1 4564/4885GAA 283/4885EPHX1 714/4885 |
| US-20130158018-A1 | Heteroaryl Nitrile Compounds Useful as Inhibitors of Cathepsin-S | CTSS, CTSV, CTSF | AAK1 4148/4885GAA 28/4885EPHX1 3325/4885 |
“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.