Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 6/20 | 0.39 |
| ▸ | CTSK | P43235 | 3/20 | 0.39 |
| ▸ | MIF | P14174 | 2/20 | 0.36 |
| ▸ | CTSL | P07711 | 3/20 | 0.35 |
| ▸ | CTSB | P07858 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6442434 | 0.89 | POLB (0.45) | CTSSCTSKCTSLCTSBLMNA | |
| SCHEMBL6442609 | 0.89 | CTSS (0.37) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL6822170 | 0.89 | CTSS (0.49) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL6446763 | 0.89 | ESR1 (0.41) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL6446503 | 0.89 | SMN1; SMN2 (0.43) | ESR1ESR2CTSSCTSKCTSL | |
| SCHEMBL6448170 | 0.89 | CTSK (0.42) | ESR1ESR2CTSSCTSKCTSL | |
| SCHEMBL6446330 | 0.87 | SMN1; SMN2 (0.48) | ESR1LMNASMN1; SMN2NPC1 | |
| SCHEMBL6819019 | 0.85 | CTSS (0.48) | CTSSCTSKCTSLCTSB | |
| SCHEMBL6449254 | 0.84 | CTSS (0.33) | ESR1ESR2CTSSCTSKCTSL | |
| SCHEMBL6443381 | 0.84 | CYP2D6 (0.40) | CTSSCTSKCTSLCTSBPOLB |
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 |
| 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 |