Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 5/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | GMNN | O75496 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8562310 | 0.86 | ADORA2A (0.62) | ADORA2AADORA2BADORA3LMNACYP1A2 | |
| SCHEMBL8561107 | 0.82 | ADORA1 (0.63) | ADORA2AADORA2BADORA3LMNACYP1A2 | |
| 8-Cyclopentyltheophylline SCHEMBL13397811 | 0.66 | ADORA2A (1.00) | ADORA2AADORA2BADORA3LMNACYP1A2 | |
| 8-Cyclopentyltheophylline SCHEMBL431907 | 0.66 | ADORA2A (1.00) | ADORA2AADORA2BADORA3LMNACYP1A2 | |
| SCHEMBL515967 | 0.65 | ADORA2A (1.00) | ADORA2AADORA2BADORA3LMNACYP1A2 | |
| SCHEMBL9262515 | 0.64 | ADORA2A (0.74) | ADORA2AADORA2BADORA3LMNACYP1A2 | |
| SCHEMBL5437328 | 0.64 | ADORA2A (0.62) | ADORA2AADORA2BADORA3LMNACYP1A2 | |
| SCHEMBL8559968 | 0.63 | ADORA1 (0.53) | ADORA2AADORA2BADORA3LMNACYP1A2 | |
| SCHEMBL8559224 | 0.62 | ADORA1 (0.61) | ADORA2AADORA2BADORA3LMNACYP1A2 | |
| 1,3-Dipropyl-8-Cyclopentylxanthine [Dpcpx] SCHEMBL382422 | 0.62 | ADORA1 (1.00) | ADORA2AADORA2BADORA3LMNACYP1A2 |
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-0880524-A1 | NEW TRIAZOLOPURINES, METHOD OF PREPARING THEM AND THEIR USE AS DRUGS | Boehringer Ingelheim Pharma KG (DE) | 1998-12-02 | — | — | EP | disclosed |
| WO-1998003511-A1 | NEW TRIAZOLOPURINES, METHOD OF PREPARING THEM AND THEIR USE AS DRUGS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1998-01-29 | — | — | WO | disclosed |