Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PORCN | Q9H237 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 6/20 | 0.41 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.40 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.39 |
| ▸ | PIP4K2B | P78356 | 1/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9106342 | 0.86 | ALDH1A1 (0.51) | PORCNSMN1; SMN2LMNAALDH1A1HTT | |
| SCHEMBL4477095 | 0.86 | ALDH1A1 (0.51) | SMN1; SMN2LMNAALDH1A1PTGS2HTT | |
| SCHEMBL9106921 | 0.81 | HPGD (0.48) | PORCNSMN1; SMN2LMNAALDH1A1NPC1 | |
| SCHEMBL9101092 | 0.79 | KDR (0.49) | PORCNSMN1; SMN2LMNAALDH1A1HTT | |
| SCHEMBL9102775 | 0.75 | SMN1; SMN2 (0.49) | PORCNSMN1; SMN2LMNAALDH1A1HTT | |
| SCHEMBL4473380 | 0.71 | ALDH1A1 (0.57) | SMN1; SMN2LMNAALDH1A1HTTTDP1 | |
| SCHEMBL9100139 | 0.69 | KDR (0.60) | — | |
| SCHEMBL5337025 | 0.68 | ALDH1A1 (0.67) | SMN1; SMN2LMNAALDH1A1HTTTDP1 | |
| SCHEMBL5725866 | 0.67 | CDK8 (0.50) | HTTGAARAB9A | |
| SCHEMBL2645628 | 0.67 | PTGS2 (0.50) | SMN1; SMN2LMNAALDH1A1PTGS2HTT |
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-1685125-B1 | Pyrrole derivatives useful for the treatment of proliferative diseases | MERCK PATENT GMBH (DE) | 2012-06-06 | — | — | EP | disclosed |
| EP-1685125-A1 | PYRROL DERIVATIVES | MERCK PATENT GmbH (DE) | 2006-08-02 | — | — | EP | disclosed |
| WO-2005049603-A1 | PYRROL DERIVATIVES | MERCK PATENT GMBH (DE) | 2005-06-02 | — | — | WO | disclosed |