Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | GUSB | P08236 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 6/20 | 0.37 |
| ▸ | CTSL | P07711 | 5/20 | 0.37 |
| ▸ | CTSS | P25774 | 5/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.36 |
| ▸ | CTSB | P07858 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6447466 | 0.90 | CTSL (0.47) | ATMCTSKCTSLCTSSCTSB | |
| SCHEMBL6446797 | 0.90 | CTSS (0.43) | ATMGUSBCTSKCTSLCTSS | |
| SCHEMBL6446599 | 0.89 | GUSB (0.43) | GUSBCTSKCTSLCTSSHDAC3 | |
| SCHEMBL6447322 | 0.88 | CTSK (0.42) | ATMGUSBCTSKCTSLCTSS | |
| SCHEMBL6445190 | 0.87 | GUSB (0.40) | GUSBCTSKCTSLCTSSCTSB | |
| SCHEMBL6444201 | 0.84 | CTSL (0.47) | ATMCTSLPIN1 | |
| SCHEMBL6446493 | 0.81 | CTSL (0.53) | ATMCTSKCTSLCTSSHDAC1 | |
| SCHEMBL6447506 | 0.80 | CTSL (0.53) | CTSKCTSLCTSSCTSBCTSV | |
| SCHEMBL6446969 | 0.79 | KDM4E (0.44) | ATMCTSKCTSLCTSSCTSB | |
| SCHEMBL6019767 | 0.79 | CTSL (0.60) | CTSKCTSLCTSSCTSBCTSV |
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 6 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 |
| WO-2004056755-A2 | COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES | JERENI AG (DE) | 2004-07-08 | — | — | WO | disclosed |