Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.58 |
| ▸ | CA1 | P00915 | 4/20 | 0.58 |
| ▸ | CA2 | P00918 | 4/20 | 0.58 |
| ▸ | CA9 | Q16790 | 4/20 | 0.58 |
| ▸ | PNLIP | P16233 | 2/20 | 0.54 |
| ▸ | FAAH | O00519 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | PGR | P06401 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | RAF1 | P04049 | 2/20 | 0.49 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.49 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.49 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.49 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.49 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6229951 | 0.99 | CA12 (0.60) | CA12CA1CA2CA9PNLIP | |
| SCHEMBL4351601 | 0.88 | MAOA (0.59) | SMN1; SMN2MAPTMEN1LMNAKMT2A | |
| SCHEMBL4346263 | 0.87 | CA12 (0.56) | CA12CA1CA2CA9PNLIP | |
| SCHEMBL6673220 | 0.86 | CA12 (0.55) | CA12CA1CA2CA9PNLIP | |
| SCHEMBL4354589 | 0.83 | MEN1 (0.61) | CA12CA1CA2CA9PNLIP | |
| SCHEMBL30053559 | 0.83 | CA12 (0.73) | CA12CA1CA2CA9PNLIP | |
| SCHEMBL6252145 | 0.82 | CA12 (0.60) | CA12CA1CA2CA9PNLIP | |
| SCHEMBL21295380 | 0.81 | CA12 (0.71) | CA12CA1CA2CA9PNLIP | |
| SCHEMBL6229953 | 0.80 | FAAH (0.48) | CA12CA1CA2CA9PNLIP | |
| SCHEMBL4347138 | 0.80 | EPHX2 (0.71) | FAAHHPGDMAPTMEN1KMT2A |
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 |