Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 8/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GMNN | O75496 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7385488 | 1.00 | ADORA1 (0.47) | ADORA1ADORA3KDM4EALDH1A1CYP2C9 | |
| SCHEMBL7385490 | 1.00 | ADORA1 (0.47) | ADORA1ADORA3KDM4EALDH1A1CYP2C9 | |
| SCHEMBL8706317 | 0.83 | ADORA1 (0.68) | ADORA1ADORA3KDM4EALDH1A1CYP2C9 | |
| SCHEMBL8708249 | 0.83 | ADORA1 (0.68) | ADORA1ADORA3KDM4EALDH1A1CYP2C9 | |
| SCHEMBL8706321 | 0.83 | ADORA1 (0.68) | ADORA1ADORA3KDM4EALDH1A1CYP2C9 | |
| 1,3-Dipropyl-8-Cyclopentylxanthine [Dpcpx] SCHEMBL12648692 | 0.79 | ADORA1 (0.67) | ADORA1ADORA3ADORA2AADORA2BMEN1 | |
| SCHEMBL7356869 | 0.77 | ADORA1 (0.51) | ADORA1ADORA3KDM4EALDH1A1CYP2C9 | |
| SCHEMBL12648449 | 0.74 | ADORA2B (0.67) | ADORA1ADORA3KDM4EALDH1A1CYP2C9 | |
| Naxifylline SCHEMBL29372691 | 0.70 | ADORA1 (0.72) | ADORA1ADORA3ADORA2AADORA2BMEN1 | |
| SCHEMBL4990090 | 0.70 | ADORA1 (0.42) | ADORA1ADORA3ADORA2AADORA2BMEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0697020-A1 | 8-SUBSTITUTED XANTHINES AS SELECTIVE ADENOSINE RECEPTOR AGENTS | MERRELL PHARMACEUTICALS INC. (US) | 1996-02-21 | — | — | EP | claimed |
| WO-1994026744-A1 | 8-SUBSTITUTED XANTHINES AS SELECTIVE ADENOSINE RECEPTOR AGENTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-11-24 | — | — | WO | claimed |
| US-5734052-A | HYPOTENSIVE AGENTS, SEDATIVES, ANTISPASMODIC AGENTS AND VASODILATORS | MERRELL PHARMACEUTICALS INC. (US) | 1998-03-31 | — | — | US | disclosed |
| EP-0697020-A1 | 8-SUBSTITUTED XANTHINES AS SELECTIVE ADENOSINE RECEPTOR AGENTS | MERRELL PHARMACEUTICALS INC. (US) | 1996-02-21 | — | — | EP | disclosed |
| WO-1994026744-A1 | 8-SUBSTITUTED XANTHINES AS SELECTIVE ADENOSINE RECEPTOR AGENTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-11-24 | — | — | WO | disclosed |