Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 6/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.48 |
| ▸ | GAA | P10253 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.47 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 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 | |
|---|---|---|---|---|
| SCHEMBL655417 | 0.81 | RAB9A (0.51) | NPC1RAB9AHTTSMN1; SMN2GAA | |
| SCHEMBL1830661 | 0.71 | GRM5 (0.57) | NPC1RAB9AHTTSMN1; SMN2TP53 | |
| SCHEMBL11150597 | 0.71 | ATM (0.69) | NPC1RAB9ASMN1; SMN2GAATP53 | |
| SCHEMBL8990578 | 0.71 | RAB9A (0.53) | NPC1RAB9AHTTSMN1; SMN2TP53 | |
| SCHEMBL5260773 | 0.69 | KMT2A (0.52) | NPC1RAB9ASMN1; SMN2GAATP53 | |
| SCHEMBL6196383 | 0.69 | KMT2A (0.47) | NPC1RECQLRAB9ASMN1; SMN2GAA | |
| SCHEMBL18010037 | 0.69 | RAB9A (0.54) | NPC1RAB9ASMN1; SMN2GAATP53 | |
| SCHEMBL5472817 | 0.69 | LCK (0.55) | NPC1RAB9AHTTSMN1; SMN2GAA | |
| SCHEMBL5691055 | 0.68 | RAB9A (0.63) | NPC1RAB9AHTTSMN1; SMN2GAA | |
| SCHEMBL5692749 | 0.68 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2GAATP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5500428-A | Furyl-substituted purines and adenosine antagonists | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1996-03-19 | — | — | US | disclosed |
| US-5300509-A | Adenosine antagonists for treating cardiovascular disorders, vasodilation | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1994-04-05 | — | — | US | disclosed |
| EP-0544445-A2 | Furyl-substituted purines, oxazolopyrimidines and pteridines as adenosine antagonists | ZENECA LIMITED (GB) | 1993-06-02 | — | — | EP | disclosed |