Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | PPID | Q08752 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ANPEP | P15144 | 1/20 | 0.46 |
| ▸ | FPR2 | P25090 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4345272 | 0.87 | PPID (0.48) | CA12CA1CA2CA9SMN1; SMN2 | |
| SCHEMBL4347413 | 0.86 | FOLH1 (0.54) | CA12CA1CA2CA9MAPK1 | |
| SCHEMBL4360043 | 0.83 | FPR2 (0.63) | CA12CA1CA2CA9POLB | |
| SCHEMBL7305420 | 0.79 | CTSL (0.56) | CA12CA1CA2CA9MAPK1 | |
| SCHEMBL4348746 | 0.77 | PPID (0.48) | CA12CA1CA2CA9PPID | |
| SCHEMBL4358213 | 0.77 | ANPEP (0.58) | SMN1; SMN2PPIDANPEP | |
| SCHEMBL4342074 | 0.77 | ANPEP (0.46) | SMN1; SMN2MAPK1PPIDANPEP | |
| SCHEMBL12846496 | 0.77 | ANPEP (0.58) | SMN1; SMN2PPIDANPEP | |
| SCHEMBL5424429 | 0.76 | PPID (0.50) | CA12CA1CA2CA9SMN1; SMN2 | |
| SCHEMBL12846805 | 0.76 | PPID (0.50) | CA12CA1CA2CA9SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | claimed |
| CN-1701061-A | Novel compounds for inhibiting rotamase enzymes and uses thereof | JERINI AG (DE) | 2005-11-23 | — | — | CN | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |