Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP1 | P22413 | 4/20 | 0.44 |
| ▸ | ENPP3 | O14638 | 4/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 10/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 10/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 10/20 | 0.39 |
| ▸ | MAOA | P21397 | 3/20 | 0.39 |
| ▸ | MAOB | P27338 | 3/20 | 0.39 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7755736 | 0.79 | ADRA2A (0.40) | ADRA2AADRA2BADRA2CMAOAMAOB | |
| SCHEMBL6559731 | 0.77 | HTR7 (0.62) | ENPP1ENPP3ALDH1A1SMN1; SMN2HTR7 | |
| SCHEMBL7756348 | 0.77 | ADRA2A (0.39) | ADRA2AADRA2BADRA2CMAOAMAOB | |
| SCHEMBL6560544 | 0.71 | BRD4 (0.49) | ENPP1ENPP3 | |
| SCHEMBL6560555 | 0.65 | ENPP3 (0.56) | ENPP1ENPP3NPC1ALDH1A1RAB9A | |
| SCHEMBL278182 | 0.65 | ENPP3 (0.69) | ENPP1ENPP3NPC1ALDH1A1RAB9A | |
| Benzene SCHEMBL16781371 | 0.65 | ENPP3 (0.69) | ENPP1ENPP3NPC1ALDH1A1RAB9A | |
| SCHEMBL7957183 | 0.64 | SMN1; SMN2 (0.50) | NPC1ALDH1A1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL5610455 | 0.64 | ENPP1 (0.55) | ENPP1ENPP3NPC1ALDH1A1TP53 | |
| SCHEMBL3271684 | 0.64 | ENPP3 (0.72) | ENPP1ENPP3NPC1ALDH1A1RAB9A |
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-1071670-A1 | NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM KG (DE) | 2001-01-31 | — | — | EP | disclosed |
| WO-1999054314-A1 | NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-10-28 | — | — | WO | disclosed |