Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.71 |
| ▸ | HTT | P42858 | 1/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | RECQL | P46063 | 1/20 | 0.58 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 3/20 | 0.48 |
| ▸ | HTR7 | P34969 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1659340 | 0.88 | MAPK1 (0.83) | MAPK1HTTSMN1; SMN2KDM4ERECQL | |
| SCHEMBL3013547 | 0.84 | MAPK1 (0.90) | MAPK1HTTSMN1; SMN2KDM4ERECQL | |
| SCHEMBL10082160 | 0.83 | MAPK1 (1.00) | MAPK1HTTSMN1; SMN2KDM4ERECQL | |
| SCHEMBL12719599 | 0.83 | MAPK1 (1.00) | MAPK1HTTSMN1; SMN2KDM4ERECQL | |
| SCHEMBL13846055 | 0.83 | MAPK1 (1.00) | MAPK1HTTSMN1; SMN2KDM4ERECQL | |
| SCHEMBL2834532 | 0.83 | MAPK1 (1.00) | MAPK1HTTSMN1; SMN2KDM4ERECQL | |
| SCHEMBL24762156 | 0.80 | MAPK1 (0.71) | MAPK1HTTSMN1; SMN2KDM4ERECQL | |
| SCHEMBL3917510 | 0.80 | HTT (0.71) | MAPK1HTTSMN1; SMN2KDM4ERECQL | |
| SCHEMBL2196811 | 0.80 | MAPK1 (0.71) | MAPK1HTTSMN1; SMN2KDM4ERECQL | |
| SCHEMBL2196807 | 0.80 | MAPK1 (0.71) | MAPK1HTTSMN1; SMN2KDM4ERECQL |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009112475-A1 | PYRROLO [2, 3-B] PYRIDIN DERIVATIVES AS IKK2 INHIBITORS | GLAXO GROUP LIMITED (GB) | 2009-09-17 | — | — | WO | disclosed |
| WO-2009112475-A1 | PYRROLO [2, 3-B] PYRIDIN DERIVATIVES AS IKK2 INHIBITORS | GLAXO GROUP LIMITED (GB) | 2009-09-17 | — | — | WO | disclosed |