Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 14/20 | 0.65 |
| ▸ | TYMP | P19971 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5452618 | 0.77 | GPR84 (0.53) | GPR84TYMPKDM4EGAAMEN1 | |
| Hydrochloric Acid SCHEMBL11753831 | 0.76 | TYMP (0.49) | GPR84TYMPMEN1KMT2A | |
| SCHEMBL5996030 | 0.66 | GRIN2D (0.58) | GPR84KDM4EGAAMEN1KMT2A | |
| SCHEMBL31506926 | 0.66 | KDM4E (0.54) | GPR84KDM4EMEN1KMT2A | |
| SCHEMBL24937838 | 0.65 | GRIN2D (0.56) | GPR84KDM4EGAAMEN1KMT2A | |
| SCHEMBL7699028 | 0.64 | GPR84 (0.54) | GPR84 | |
| SCHEMBL3261738 | 0.64 | GPR84 (1.00) | GPR84TYMP | |
| SCHEMBL17787656 | 0.63 | TYMP (0.38) | TYMP | |
| SCHEMBL30361812 | 0.63 | GPR84 (1.00) | GPR84TYMP | |
| SCHEMBL21842643 | 0.62 | GRIN2D (0.41) | GPR84KDM4EGAAMEN1KMT2A |
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-0654033-A1 | ASYMMETRICALLY SUBSTITUTED XANTHINE WITH ADENOSINE-ANTAGONISTIC PROPERTIES | BOEHRINGER INGELHEIM KG (DE) | 1995-05-24 | — | — | EP | disclosed |
| WO-1994003456-A1 | ASYMMETRICALLY SUBSTITUTED XANTHINE WITH ADENOSINE-ANTAGONISTIC PROPERTIES | BOEHRINGER INGELHEIM KG (DE) | 1994-02-17 | — | — | WO | disclosed |