Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 3/20 | 0.40 |
| ▸ | CTSL | P07711 | 2/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6443477 | 0.84 | KMT2A (0.49) | CASP3KMT2AEPHX2CTSSCTSL | |
| SCHEMBL6447189 | 0.84 | KMT2A (0.49) | CASP3KMT2AEPHX2CTSSCTSL | |
| SCHEMBL6021045 | 0.81 | CASP3 (0.52) | CASP3CTSSCTSLCTSBCTSK | |
| SCHEMBL6443951 | 0.81 | KMT2A (0.46) | CASP3KMT2AEPHX2CTSSCTSL | |
| SCHEMBL28529902 | 0.78 | KMT2A (0.58) | CASP3KMT2AEPHX2 | |
| SCHEMBL30254873 | 0.78 | KMT2A (0.58) | CASP3KMT2AEPHX2 | |
| SCHEMBL6660248 | 0.77 | KMT2A (0.55) | CASP3KMT2AEPHX2 | |
| SCHEMBL6019554 | 0.77 | CTSS (0.69) | CTSSCTSLCTSBCTSK | |
| SCHEMBL6019629 | 0.77 | CTSS (0.51) | CASP3KMT2ACTSSCTSLCTSB | |
| SCHEMBL6822996 | 0.76 | CTSS (0.38) | CTSSCTSLCTSBCTSK |
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 |
|---|---|---|---|---|---|---|---|
| EP-1575903-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES | Jerini AG (DE) | 2005-09-21 | — | — | EP | claimed |
| WO-2004065353-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES | JERINI AG (DE) | 2004-08-05 | — | — | WO | claimed |
| WO-2004056755-A2 | COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES | JERENI AG (DE) | 2004-07-08 | — | — | WO | claimed |
| EP-1575903-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES | Jerini AG (DE) | 2005-09-21 | — | — | EP | disclosed |
| WO-2004065353-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES | JERINI AG (DE) | 2004-08-05 | — | — | WO | disclosed |