Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.49 |
| ▸ | ADCY5 | O95622 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | AHCY | P23526 | 2/20 | 0.46 |
| ▸ | PI4KA | P42356 | 3/20 | 0.45 |
| ▸ | PI4K2B | Q8TCG2 | 3/20 | 0.45 |
| ▸ | PI4K2A | Q9BTU6 | 3/20 | 0.45 |
| ▸ | PI4KB | Q9UBF8 | 3/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.45 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | THPO | P40225 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28210687 | 0.86 | ADORA2A (0.51) | GSK3BADORA2AADORA1ADCY5ALDH1A1 | |
| SCHEMBL28601746 | 0.84 | ADORA2A (0.49) | GSK3BADORA2AADORA1AHCYPI4KA | |
| SCHEMBL22399264 | 0.78 | ADORA2A (0.56) | ADORA2AADORA1AHCYPI4KAPI4K2B | |
| SCHEMBL9120 | 0.76 | ADORA2A (0.59) | ADORA2AADORA1AHCYPI4KAPI4K2B | |
| SCHEMBL48453 | 0.75 | ADORA2A (0.50) | GSK3BADORA2AADORA1AHCYPI4KA | |
| SCHEMBL7278433 | 0.75 | ALDH1A1 (0.51) | GSK3BADORA2AADORA1ADCY5ALDH1A1 | |
| SCHEMBL7278435 | 0.75 | ALDH1A1 (0.51) | GSK3BADORA2AADORA1ADCY5ALDH1A1 | |
| SCHEMBL3802976 | 0.75 | EGFR (0.61) | GSK3BPI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL2346678 | 0.75 | GSK3B (0.67) | GSK3BADORA2AADORA1ADCY5ALDH1A1 | |
| SCHEMBL20208091 | 0.73 | ADORA2A (0.56) | ADORA2AADORA1AHCYPI4KAPI4K2B |
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-0186454-B1 | 6-PURINYL N-(2-CHLOROETHYL) CARBAMATE AND THIOCARBAMATE, A PROCESS FOR THEIR PREPARATION AND USE THEREOF | SPOFA Spojené Podniky Pro Zdravotnickou Vyrobu (CS) | 1992-04-08 | — | — | EP | disclosed |
| US-4720497-A | 6-purinyl N-/2-chloroethyl/carbamate and thiocarbamate and process for the preparation thereof | SPOFA, SPOJENE PODNIKY PRO ZDRAVOTNICKOU VYROBU (CS) | 1988-01-19 | — | — | US | disclosed |
| EP-0186454-A2 | 6-Purinyl N-(2-chloroethyl) carbamate and thiocarbamate, a process for their preparation and use thereof | SPOFA Spojené Podniky Pro Zdravotnickou Vyrobu (CS) | 1986-07-02 | — | — | EP | disclosed |