Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 8/20 | 0.38 |
| ▸ | CTSL | P07711 | 5/20 | 0.38 |
| ▸ | CTSB | P07858 | 4/20 | 0.38 |
| ▸ | CTSK | P43235 | 6/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6443381 | 0.91 | CYP2D6 (0.40) | CTSSCTSLCTSBCTSKATM | |
| SCHEMBL6446070 | 0.89 | CTSS (0.48) | CTSSCTSLCTSBCTSK | |
| SCHEMBL6447648 | 0.89 | MTNR1A (0.40) | CTSSCTSLCTSBCTSKATM | |
| SCHEMBL6443928 | 0.89 | CTSK (0.41) | CTSSCTSLCTSBCTSKMTNR1A | |
| SCHEMBL6445255 | 0.87 | NPC1 (0.44) | CTSSCTSLCTSBCTSKSLC6A2 | |
| SCHEMBL6447305 | 0.87 | CTSS (0.43) | CTSSCTSLCTSBCTSKMEN1 | |
| SCHEMBL6445250 | 0.86 | CTSS (0.35) | CTSSCTSLCTSBCTSKATM | |
| SCHEMBL6444049 | 0.85 | CTSS (0.50) | CTSSCTSLCTSBCTSK | |
| SCHEMBL6449561 | 0.85 | NPC1 (0.49) | CTSSCTSLCTSBNPC1RAB9A | |
| SCHEMBL6442609 | 0.83 | CTSS (0.37) | CTSSCTSLCTSBCTSKSMN1; SMN2 |
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 |