Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 9/20 | 0.59 |
| ▸ | POLB | P06746 | 2/20 | 0.57 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.57 |
| ▸ | CNR1 | P21554 | 1/20 | 0.57 |
| ▸ | ACHE | P22303 | 1/20 | 0.57 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.57 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.57 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.57 |
| ▸ | MC3R | P41968 | 1/20 | 0.57 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.57 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.57 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.57 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11328647 | 0.79 | MAPK1 (0.56) | ADORA2BPOLBPIK3CDADORA3CNR1 | |
| SCHEMBL11703600 | 0.77 | DPP4 (0.52) | ADORA2BPOLBLMNA | |
| SCHEMBL27257244 | 0.77 | ADORA2B (0.58) | ADORA2BPOLBPIK3CDADORA3CNR1 | |
| Caffeine SCHEMBL6659248 | 0.76 | ADORA2B (0.83) | ADORA2BPOLBPIK3CDADORA3CNR1 | |
| SCHEMBL5471122 | 0.76 | ADORA2B (0.62) | ADORA2BPOLBPIK3CDADORA3CNR1 | |
| SCHEMBL1764613 | 0.76 | ADORA2B (0.61) | ADORA2BPOLBPIK3CDADORA3CNR1 | |
| SCHEMBL11385039 | 0.75 | ADORA2B (0.78) | ADORA2BPOLBSMN1; SMN2LMNAMAPK1 | |
| Caffeine SCHEMBL10626903 | 0.75 | ADORA2B (0.81) | ADORA2BPOLBPIK3CDADORA3CNR1 | |
| SCHEMBL3119654 | 0.75 | ADORA2B (0.60) | ADORA2BPOLBPIK3CDADORA3CNR1 | |
| SCHEMBL11389623 | 0.74 | ADORA2B (0.54) | ADORA2BPOLBPIK3CDADORA3CNR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113382996-B | Theophylline derivatives with nematicidal activity, agronomic compositions and related uses | 高文作物保护公司 | 2024-07-16 | — | — | CN | disclosed |
| EP-3917928-A1 | THEOPHYLLINE DERIVATIVES WITH NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND RELATIVE USE | ISAGRO S.p.A. (IT) | 2021-12-08 | — | — | EP | disclosed |
| CN-113382996-A | Theophylline derivatives with nematicidal activity, agronomic compositions thereof and related uses | 伊萨格罗股份公司 | 2021-09-10 | — | — | CN | disclosed |
| WO-2020157668-A1 | THEOPHYLLINE DERIVATIVES WITH NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND RELATIVE USE | ISAGRO S.P.A. (IT) | 2020-08-06 | — | — | WO | disclosed |