Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 2/20 | 0.39 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2227333 | 0.92 | NPC1 (0.41) | NPC1GAAL3MBTL1DPP4DPP8 | |
| SCHEMBL2227702 | 0.80 | GAA (0.65) | GAAL3MBTL1MAPK1RORCHPGD | |
| SCHEMBL2276782 | 0.74 | NPC1 (0.41) | NPC1GAAL3MBTL1DPP4DPP8 | |
| SCHEMBL2227742 | 0.73 | NPC1 (0.40) | NPC1GAAL3MBTL1DPP4DPP8 | |
| SCHEMBL3542119 | 0.73 | CYP3A4 (0.39) | NPC1MAPK1CXCR2ALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL10447048 | 0.72 | GRM7 (0.45) | NPC1GAAL3MBTL1TDP1HPGD | |
| SCHEMBL2227222 | 0.72 | GAA (0.57) | GAAL3MBTL1MAPK1RORCHPGD | |
| SCHEMBL5271104 | 0.70 | KDM4E (0.58) | KDM4ETSHRCYP3A4 | |
| SCHEMBL3447974 | 0.69 | MIF (0.43) | NPC1TDP1HPGDKDM4EALDH1A1 | |
| SCHEMBL5271316 | 0.68 | SIGMAR1 (0.52) | MAPK1KDM4EALDH1A1LMNATSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011091346-A2 | POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP | BRIDGESTONE CORPORATION (JP) | 2011-07-28 | — | — | WO | disclosed |