Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.56 |
| ▸ | CA1 | P00915 | 4/20 | 0.56 |
| ▸ | CA2 | P00918 | 4/20 | 0.56 |
| ▸ | CA9 | Q16790 | 4/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | FAAH | O00519 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | PGR | P06401 | 1/20 | 0.53 |
| ▸ | PNLIP | P16233 | 1/20 | 0.51 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.50 |
| ▸ | TGM2 | P21980 | 1/20 | 0.50 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.50 |
| ▸ | RAF1 | P04049 | 1/20 | 0.50 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.50 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6673220 | 0.99 | CA12 (0.55) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL4352985 | 0.87 | CA12 (0.58) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL4350139 | 0.86 | SMN1; SMN2 (0.63) | MEN1LMNAMAPTKMT2ANPSR1 | |
| SCHEMBL6229951 | 0.86 | CA12 (0.60) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL4345603 | 0.85 | CA12 (0.54) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL30053559 | 0.84 | CA12 (0.73) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL4348975 | 0.83 | NPC1 (0.55) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL4345626 | 0.82 | CA12 (0.59) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL4350770 | 0.82 | MEN1 (0.67) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL21295380 | 0.82 | CA12 (0.71) | CA12CA1CA2CA9MEN1 |
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 |