Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 5/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17791230 | 0.74 | ADORA2B (0.45) | ADORA2BADORA3SMN1; SMN2LMNAGLA | |
| SCHEMBL9573801 | 0.65 | RAB9A (0.39) | ADORA2BSMN1; SMN2RAB9ALMNAGLA | |
| SCHEMBL1687952 | 0.64 | ADORA2B (0.46) | ADORA2BADORA3GLABLML3MBTL1 | |
| SCHEMBL20995272 | 0.64 | ADORA2B (0.46) | ADORA2BADORA3GLABLML3MBTL1 | |
| SCHEMBL9826239 | 0.64 | — | — | |
| SCHEMBL17164964 | 0.64 | SLC9A1 (0.49) | ADORA2BADORA3LMNASLC9A1 | |
| SCHEMBL1629499 | 0.64 | ADORA2B (0.39) | ADORA2BADORA3SMN1; SMN2RAB9ALMNA | |
| SCHEMBL6561465 | 0.63 | — | — | |
| SCHEMBL11239424 | 0.60 | ADORA2B (0.40) | ADORA2BADORA3GLABLMALDH1A1 | |
| SCHEMBL8876920 | 0.60 | SLC9A1 (0.53) | ADORA2BSMN1; SMN2LMNABLMSLC9A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0440670-A1 | HETEROCYCLIC ACETYLENIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY. | UPJOHN CO (US) | 1991-08-14 | — | — | EP | disclosed |