Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 13/20 | 0.65 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.62 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.62 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.60 |
| ▸ | GMNN | O75496 | 2/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.60 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL8576785 | 0.93 | ADORA1 (0.64) | ADORA1ADORA2AADORA2BADORA3GMNN | |
| SCHEMBL8580875 | 0.92 | ADORA1 (0.67) | ADORA1ADORA2AADORA2BADORA3GMNN | |
| SCHEMBL8578133 | 0.91 | ADORA1 (0.66) | ADORA1ADORA2AADORA2BADORA3GMNN | |
| SCHEMBL8579411 | 0.88 | ADORA1 (0.73) | ADORA1ADORA2AADORA2BADORA3GMNN | |
| SCHEMBL8579611 | 0.88 | ADORA1 (0.68) | ADORA1ADORA2AADORA2BADORA3GMNN | |
| SCHEMBL8578025 | 0.87 | ADORA1 (0.65) | ADORA1ADORA2AADORA2BADORA3GMNN | |
| SCHEMBL8577917 | 0.87 | ADORA1 (0.69) | ADORA1ADORA2AADORA2BADORA3GMNN | |
| SCHEMBL8577863 | 0.85 | ADORA1 (0.55) | ADORA1ADORA2AADORA2BADORA3GMNN | |
| SCHEMBL8579158 | 0.84 | ADORA1 (0.76) | ADORA1ADORA2AADORA2BADORA3GMNN | |
| SCHEMBL8576983 | 0.83 | ADORA2A (0.79) | ADORA1ADORA2AADORA2BADORA3GMNN |
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 |
|---|---|---|---|---|---|---|---|
| US-5719279-A | CHOLINOMIMETICS | BOEHRINGER INGELHEIM KG (DE) | 1998-02-17 | — | — | US | disclosed |
| WO-1994003456-A1 | ASYMMETRICALLY SUBSTITUTED XANTHINE WITH ADENOSINE-ANTAGONISTIC PROPERTIES | BOEHRINGER INGELHEIM KG (DE) | 1994-02-17 | — | — | WO | disclosed |