Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 6/20 | 0.40 |
| ▸ | CTSL | P07711 | 5/20 | 0.40 |
| ▸ | CTSS | P25774 | 4/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL6442572 | 0.90 | CTSK (0.50) | KDM4ETAAR1CTSKCTSLCTSS | |
| SCHEMBL6447483 | 0.89 | ATM (0.49) | CTSKCTSLCTSSATMKMT2A | |
| SCHEMBL6447322 | 0.88 | CTSK (0.42) | CTSKCTSLCTSSATMCTSB | |
| SCHEMBL6448077 | 0.88 | KDM4E (0.54) | KDM4ETAAR1CTSKCTSLCTSS | |
| SCHEMBL6443947 | 0.86 | CTSD (0.41) | CTSKCTSLCTSSATMKMT2A | |
| SCHEMBL6825007 | 0.86 | KDM4E (0.47) | KDM4ETAAR1CTSKCTSLCTSS | |
| SCHEMBL6822560 | 0.82 | CYP1A2 (0.43) | CTSKCTSLCTSSATMKMT2A | |
| SCHEMBL6447648 | 0.82 | MTNR1A (0.40) | CTSKCTSLCTSSATMKMT2A | |
| SCHEMBL6442447 | 0.81 | ALDH1A1 (0.38) | TAAR1CTSKCTSLCTSSATM | |
| SCHEMBL6443504 | 0.81 | CTSK (0.37) | KDM4ECTSKCTSLCTSSATM |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-2004056755-A2 | COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES | JERENI AG (DE) | 2004-07-08 | — | — | WO | disclosed |