Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 5/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | IDH2 | P48735 | 4/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.39 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CAMK1D | Q8IU85 | 3/20 | 0.38 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.38 |
| ▸ | CSF1R | P07333 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17769468 | 1.00 | ALDH1A1 (0.43) | ALDH1A1KIF11GRIN1GRIN2BKCNH2 | |
| SCHEMBL20550479 | 0.95 | ALDH1A1 (0.42) | ALDH1A1KIF11GRIN1GRIN2BKCNH2 | |
| SCHEMBL20550603 | 0.93 | ALDH1A1 (0.47) | ALDH1A1KIF11GRIN1GRIN2BKCNH2 | |
| SCHEMBL17778371 | 0.93 | ALDH1A1 (0.45) | ALDH1A1KIF11GRIN1GRIN2BKCNH2 | |
| SCHEMBL17769511 | 0.86 | KDM4E (0.42) | ALDH1A1KIF11KCNH2IDH2KDM4E | |
| SCHEMBL17778423 | 0.86 | KDM4E (0.42) | ALDH1A1KIF11KCNH2IDH2KDM4E | |
| SCHEMBL17778466 | 0.85 | DPP4 (0.41) | ALDH1A1GRIN1GRIN2BKCNH2CYP2C9 | |
| SCHEMBL17769444 | 0.85 | DPP4 (0.41) | ALDH1A1GRIN1GRIN2BKCNH2CYP2C9 | |
| SCHEMBL20720901 | 0.84 | IDH2 (0.39) | ALDH1A1KIF11GRIN1GRIN2BKCNH2 | |
| SCHEMBL17769661 | 0.83 | IRAK4 (0.39) | ALDH1A1GRIN1GRIN2BKCNH2CYP2C9 |
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-3220918-A1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | Glaxosmithkline Intellectual Property (No. 2) Limited (GB) | 2017-09-27 | — | — | EP | disclosed |
| WO-2016079712-A1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2016-05-26 | — | — | WO | disclosed |