Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 2/20 | 0.40 |
| ▸ | CTSK | P43235 | 2/20 | 0.40 |
| ▸ | REN | P00797 | 2/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | BTK | Q06187 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12011278 | 1.00 | AAK1 (0.47) | AAK1GAAHDAC4HDAC1HDAC6 | |
| SCHEMBL13092001 | 1.00 | AAK1 (0.47) | AAK1GAAHDAC4HDAC1HDAC6 | |
| SCHEMBL464271 | 0.99 | AAK1 (0.48) | AAK1GAAHDAC4HDAC1HDAC6 | |
| SCHEMBL12435203 | 0.88 | AAK1 (0.46) | AAK1GAAHDAC4HDAC1HDAC6 | |
| SCHEMBL12658445 | 0.86 | AAK1 (0.48) | AAK1GAAHDAC4HDAC1HDAC6 | |
| SCHEMBL1372065 | 0.85 | AAK1 (0.48) | AAK1GAAHDAC4HDAC1HDAC6 | |
| SCHEMBL21904477 | 0.85 | AAK1 (0.48) | AAK1GAAHDAC4HDAC1HDAC6 | |
| SCHEMBL1372066 | 0.85 | AAK1 (0.48) | AAK1GAAHDAC4HDAC1HDAC6 | |
| SCHEMBL3048373 | 0.85 | AAK1 (0.45) | AAK1GAAHDAC4HDAC1HDAC6 | |
| SCHEMBL2098572 | 0.85 | AAK1 (0.45) | AAK1GAAHDAC4HDAC1HDAC6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140294763-A1 | PEPTIDOMIMETIC PROTEASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED | 2014-10-02 | — | — | US | disclosed |
| US-8529882-B2 | Peptidomimetic protease inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-09-10 | — | — | US | disclosed |
| US-20120282219-A1 | PEPTIDOMIMETIC PROTEASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-11-08 | — | — | US | disclosed |
| US-20120064034-A1 | Peptidomimetic protease inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-03-15 | — | — | 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-20140294763-A1 | PEPTIDOMIMETIC PROTEASE INHIBITORS | CTSC, PREP, PEPD | AAK1 3561/4885GAA 331/4885HDAC4 4093/4885 |
| US-20120064034-A1 | Peptidomimetic protease inhibitors | CTSC, PREP, PEPD | AAK1 3561/4885GAA 331/4885HDAC4 4093/4885 |
| US-20120282219-A1 | PEPTIDOMIMETIC PROTEASE INHIBITORS | CTSC, PEPD, PREP | AAK1 3217/4885GAA 201/4885HDAC4 4241/4885 |
“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.