Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADA | P00813 | 5/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CD38 | P28907 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | CTSG | P08311 | 1/20 | 0.32 |
| ▸ | CMA1 | P23946 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | PNMT | P11086 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | TNKS | O95271 | 1/20 | 0.31 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7449456 | 0.82 | ADA (0.55) | ADATAAR1CYP3A4CD38HTR1A | |
| SCHEMBL7450783 | 0.75 | ADA (0.44) | ADATAAR1CYP3A4CD38HTR1A | |
| SCHEMBL7452041 | 0.73 | ADA (0.44) | ADATAAR1CD38SLC6A4SLC6A2 | |
| SCHEMBL6938971 | 0.72 | ADA (0.70) | ADATAAR1JAK3TRPV1 | |
| SCHEMBL7448884 | 0.67 | SLC6A2 (0.38) | ADASLC6A4SLC6A2SLC6A3 | |
| SCHEMBL7849281 | 0.67 | ADA (0.39) | ADATAAR1CTSGCMA1SLC6A4 | |
| SCHEMBL7449049 | 0.65 | ADA (0.44) | ADA | |
| SCHEMBL7452229 | 0.65 | ADA (0.44) | ADA | |
| SCHEMBL7837016 | 0.65 | ADA (0.56) | ADAL3MBTL1 | |
| SCHEMBL7453041 | 0.65 | ADA (0.39) | ADA |
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-1161429-A2 | HETEROCYCLIC COMPOUNDS AS ADENOSINE DEAMINASE INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-12-12 | — | — | EP | disclosed |
| WO-2000055155-A2 | HETEROCYCLIC COMPOUNDS AS ADENOSINE DEAMINASE INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-09-21 | — | — | WO | disclosed |