Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GDA | Q9Y2T3 | 2/20 | 0.74 |
| ▸ | ACHE | P22303 | 1/20 | 0.66 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.44 |
| ▸ | BLM | P54132 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 5/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 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 | |
|---|---|---|---|---|
| 7-Methylxanthine SCHEMBL31071476 | 0.86 | GDA (1.00) | GDAACHEADORA2AADORA2BCYP3A4 | |
| 7-Methylxanthine SCHEMBL28591758 | 0.86 | GDA (1.00) | GDAACHEADORA2AADORA2BCYP3A4 | |
| 7-Methylxanthine SCHEMBL31071477 | 0.86 | GDA (1.00) | GDAACHEADORA2AADORA2BCYP3A4 | |
| 7-Methylxanthine SCHEMBL235130 | 0.86 | GDA (1.00) | GDAACHEADORA2AADORA2BCYP3A4 | |
| Theobromine SCHEMBL4018409 | 0.84 | CYP3A4 (0.66) | GDAACHEADORA2AADORA2BCYP3A4 | |
| Xanthine SCHEMBL25335502 | 0.82 | GDA (0.54) | GDAACHEADORA2AADORA2BCYP3A4 | |
| Xanthine SCHEMBL29669592 | 0.81 | GDA (1.00) | GDAACHEADORA2AADORA2BALDH1A1 | |
| Xanthine SCHEMBL4965 | 0.81 | GDA (1.00) | GDAACHEADORA2AADORA2BALDH1A1 | |
| Xanthine SCHEMBL2352524 | 0.81 | GDA (1.00) | GDAACHEADORA2AADORA2BALDH1A1 | |
| Caffeine SCHEMBL2355447 | 0.81 | ADORA2A (0.59) | GDAACHEADORA2AADORA2BCYP3A4 |
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-2914962-A1 | BIOMARKERS OF MULTIPLE MYELOMA DEVELOPMENT AND PROGRESSION | Ospedale San Raffaele S.r.l. (IT) | 2015-09-09 | — | — | EP | disclosed |
| WO-2014068144-A1 | BIOMARKERS OF MULTIPLE MYELOMA DEVELOPMENT AND PROGRESSION | OSPEDALE SAN RAFFAELE S.R.L. (IT) | 2014-05-08 | — | — | WO | disclosed |