Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 13/20 | 0.90 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.81 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.81 |
| ▸ | MEN1 | O00255 | 1/20 | 0.81 |
| ▸ | GMNN | O75496 | 1/20 | 0.81 |
| ▸ | LMNA | P02545 | 1/20 | 0.81 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.81 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.81 |
| ▸ | TSHR | P16473 | 1/20 | 0.81 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.81 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.81 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.81 |
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 | |
|---|---|---|---|---|
| SCHEMBL9729354 | 1.00 | ADORA1 (0.90) | ADORA1ADORA2AADORA2BMEN1GMNN | |
| SCHEMBL4621677 | 0.95 | ADORA1 (1.00) | ADORA1ADORA2AADORA2BMEN1GMNN | |
| SCHEMBL9728743 | 0.94 | ADORA1 (0.83) | ADORA1ADORA2AADORA2BMEN1GMNN | |
| SCHEMBL9729348 | 0.94 | ADORA1 (0.83) | ADORA1ADORA2AADORA2BMEN1GMNN | |
| SCHEMBL9728826 | 0.94 | ADORA1 (0.83) | ADORA1ADORA2AADORA2BMEN1GMNN | |
| SCHEMBL9728748 | 0.94 | ADORA1 (0.83) | ADORA1ADORA2AADORA2BMEN1GMNN | |
| SCHEMBL8873114 | 0.94 | ADORA1 (0.83) | ADORA1ADORA2AADORA2BMEN1GMNN | |
| 1,3-Dipropyl-8-Cyclopentylxanthine [Dpcpx] SCHEMBL382422 | 0.90 | ADORA1 (1.00) | ADORA1ADORA2AADORA2BMEN1GMNN | |
| SCHEMBL4623484 | 0.88 | ADORA1 (1.00) | ADORA1ADORA2AADORA2BMEN1GMNN | |
| SCHEMBL8874884 | 0.87 | ADORA1 (0.76) | ADORA1ADORA2AADORA2BMEN1GMNN |
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 |
|---|---|---|---|---|---|---|---|
| US-5175290-A | Bronchodilator, cardiotonic agents | MARION MERRELL DOW INC. (US) | 1992-12-29 | — | — | US | disclosed |
| US-5175290-A | Bronchodilator, cardiotonic agents | MARION MERRELL DOW INC. (US) | 1992-12-29 | — | — | US | disclosed |