Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PI4KA | P42356 | 4/20 | 0.52 |
| ▸ | PI4K2B | Q8TCG2 | 4/20 | 0.52 |
| ▸ | PI4K2A | Q9BTU6 | 4/20 | 0.52 |
| ▸ | PI4KB | Q9UBF8 | 4/20 | 0.52 |
| ▸ | EGFR | P00533 | 1/20 | 0.52 |
| ▸ | XDH | P47989 | 1/20 | 0.47 |
| ▸ | PDE8B | O95263 | 7/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | CFTR | P13569 | 2/20 | 0.41 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.40 |
| ▸ | PDE8A | O60658 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7436860 | 0.79 | PDE4A (0.58) | PI4KAPI4K2BPI4K2API4KBPDE8B | |
| SCHEMBL27886637 | 0.77 | PI4KA (0.64) | PI4KAPI4K2BPI4K2API4KBEGFR | |
| SCHEMBL3089517 | 0.76 | CDK1 (0.54) | PI4KAPI4K2BPI4K2API4KBPDE8B | |
| SCHEMBL13557085 | 0.75 | PI4KA (0.43) | PI4KAPI4K2BPI4K2API4KBEGFR | |
| SCHEMBL6270232 | 0.75 | CDK1 (0.53) | PI4KAPI4K2BPI4K2API4KBPDE8B | |
| SCHEMBL17815797 | 0.75 | CFTR (0.67) | PI4KAPI4K2BPI4K2API4KBEGFR | |
| SCHEMBL4055763 | 0.74 | ADORA2B (0.53) | PI4KAPI4K2BPI4K2API4KBPDE8B | |
| SCHEMBL7738505 | 0.73 | CDK1 (0.60) | PI4KAPI4K2BPI4K2API4KBPDE8B | |
| SCHEMBL13190315 | 0.69 | PI4KA (0.62) | PI4KAPI4K2BPI4K2API4KBEGFR | |
| SCHEMBL5146335 | 0.69 | PI4KA (1.00) | PI4KAPI4K2BPI4K2API4KBEGFR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0457773-A4 | N?6 -SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS | — | 1993-03-10 | — | — | EP | claimed |
| EP-0457773-A1 | N?6 -SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS | WHITBY RESEARCH, Inc. (US) | 1991-11-27 | — | — | EP | claimed |
| WO-1990009178-A1 | N6-SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS | WHITBY RESEARCH, INC. (US) | 1990-08-23 | — | — | WO | claimed |