Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.45 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | FASN | P49327 | 1/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL3719538 | 0.89 | IDH1 (0.50) | IDH1KDM4EHSD17B10ALDH1A1PIN1 | |
| SCHEMBL3709499 | 0.84 | IDH1 (0.49) | IDH1KDM4EHSD17B10ALDH1A1SMN1; SMN2 | |
| SCHEMBL6238686 | 0.81 | DRD2 (0.50) | IDH1PIN1GRIN1GRIN2BPTGDR2 | |
| SCHEMBL5678790 | 0.76 | MAPK1 (0.61) | KDM4EHSD17B10ALDH1A1SMN1; SMN2GRIN2D | |
| SCHEMBL30434363 | 0.76 | MAPK1 (0.61) | KDM4EHSD17B10ALDH1A1SMN1; SMN2GRIN2D | |
| SCHEMBL3396789 | 0.76 | DAO (0.63) | IDH1PIN1FASN | |
| SCHEMBL4659631 | 0.75 | KDM4E (0.61) | KDM4EHSD17B10ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL3718386 | 0.75 | GRIN2D (0.41) | IDH1KDM4EHSD17B10ALDH1A1GRIN2D | |
| SCHEMBL327599 | 0.73 | PIN1 (0.55) | KDM4EHSD17B10ALDH1A1PIN1TSHR | |
| SCHEMBL30180579 | 0.73 | PIN1 (0.55) | KDM4EHSD17B10ALDH1A1PIN1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2393806-A1 | INHIBITORS OF JUN N-TERMINAL KINASE | Elan Pharmaceuticals Inc. (US) | 2011-12-14 | — | — | EP | disclosed |
| WO-2010091310-A1 | INHIBITORS OF JUN N-TERMINAL KINASE | ELAN PHARMACEUTICALS, INC. (US) | 2010-08-12 | — | — | WO | disclosed |