Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CTSS | P25774 | 7/20 | 0.43 |
| ▸ | CTSL | P07711 | 6/20 | 0.43 |
| ▸ | CTSB | P07858 | 4/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6443463 | 0.90 | KDM4E (0.46) | KDM4ETAAR1KMT2AAPEX1CYP1A2 | |
| SCHEMBL6442213 | 0.88 | NPC1 (0.45) | KDM4ECTSSCTSLCTSBCTSK | |
| SCHEMBL6442065 | 0.85 | CTSL (0.54) | CTSSCTSLCTSBCTSK | |
| SCHEMBL6441973 | 0.84 | CTSD (0.48) | KDM4EKMT2ACYP1A2CYP2C19CYP3A4 | |
| SCHEMBL6442268 | 0.81 | KDM4E (0.58) | KDM4ETAAR1KMT2AAPEX1CYP1A2 | |
| SCHEMBL6446809 | 0.81 | KDM4E (0.51) | KDM4ETAAR1KMT2AAPEX1CYP1A2 | |
| SCHEMBL6020543 | 0.78 | CTSS (0.58) | CTSSCTSLCTSBCTSK | |
| SCHEMBL6446318 | 0.77 | NPC1 (0.42) | KDM4EKMT2AMEN1 | |
| SCHEMBL6449654 | 0.77 | CTSK (0.56) | KDM4ETAAR1KMT2AAPEX1CYP1A2 | |
| SCHEMBL6444156 | 0.76 | CTSL (0.45) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |