Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | F10 | P00742 | 4/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | TPSAB1 | Q15661 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6994906 | 0.98 | GAA (0.42) | NPC1GAARAB9AALDH1A1F10 | |
| SCHEMBL6363251 | 0.72 | HPGD (0.45) | NPC1GAARAB9AALDH1A1MAPT | |
| SCHEMBL6998858 | 0.72 | RIPK1 (0.37) | NPC1GAARAB9AALDH1A1LCK | |
| SCHEMBL5738360 | 0.71 | NPC1 (0.37) | NPC1GAARAB9AALDH1A1F10 | |
| SCHEMBL6994637 | 0.70 | CHEK1 (0.56) | NPC1GAARAB9AALDH1A1F10 | |
| Hydrochloric Acid SCHEMBL23497511 | 0.68 | CACNA1H (0.36) | NPC1GAARAB9AALDH1A1LCK | |
| SCHEMBL6995563 | 0.67 | F10 (0.44) | NPC1GAARAB9AF10MAPT | |
| Hydrochloric Acid SCHEMBL7004333 | 0.67 | F10 (0.43) | NPC1GAARAB9AF10MAPT | |
| SCHEMBL5738314 | 0.64 | PSMB8 (0.51) | NPC1GAARAB9ALCKSMN1; SMN2 | |
| SCHEMBL7045259 | 0.64 | NUDT1 (0.60) | NPC1GAARAB9AALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-6541486-B1 | Used for treating ischemia, such as results from stroke or myocardial infarction, trauma, neurodegeneration, and inflammation. | ELAN PHARMA INTERNATIONAL LTD. (IE) | 2003-04-01 | — | — | US | disclosed |