Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.42 |
| ▸ | ADK | P55263 | 2/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL2495572 | 0.79 | KDM4E (0.50) | ALDH1A1KDM4ECDK5CDK5R1ADORA2A | |
| SCHEMBL4050621 | 0.79 | ADK (0.48) | ALDH1A1KDM4EADKADORA2AADORA1 | |
| SCHEMBL4049446 | 0.74 | MEN1 (0.42) | ALDH1A1KDM4ECDK5CDK5R1ADORA2A | |
| SCHEMBL4049734 | 0.73 | FYN (0.42) | KDM4EADORA2AADORA1MEN1KMT2A | |
| SCHEMBL11903852 | 0.73 | ALDH1A1 (0.44) | ALDH1A1KDM4ECDK5CDK5R1NPC1 | |
| SCHEMBL11903939 | 0.73 | ALDH1A1 (0.44) | ALDH1A1KDM4ECDK5CDK5R1NPC1 | |
| SCHEMBL3792272 | 0.72 | ADORA2A (0.33) | ADORA2AADORA1HPGDADORA2B | |
| SCHEMBL17555821 | 0.70 | CDK5 (0.53) | ALDH1A1KDM4ECDK5CDK5R1ADORA2A | |
| SCHEMBL3786302 | 0.69 | MAP4K4 (0.35) | ADORA2AADORA1MEN1KMT2ACYP1A2 | |
| SCHEMBL16600073 | 0.65 | KCNH2 (0.55) | ALDH1A1KDM4EADORA2AADORA1PIM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20090023763-A1 | Condensed Pyridine Derivatives Useful as A2B Adenosine Receptor Antagonists | LABORATORIOS ALMIRALL, S.A. (ES) | 2009-01-22 | — | — | US | claimed |
| US-20090023763-A1 | Condensed Pyridine Derivatives Useful as A2B Adenosine Receptor Antagonists | LABORATORIOS ALMIRALL, S.A. (ES) | 2009-01-22 | — | — | US | disclosed |
| EP-1735310-A1 | CONDENSED PYRIDINE DERIVATIVES USEFUL AS A28 ADENOSINE RECEPTOR ANTAGONISTS | Almirall Prodesfarma, S.A. (ES) | 2006-12-27 | — | — | EP | disclosed |
| WO-2005100353-A1 | CONDENSED PYRIDINE DERIVATIVES USEFUL AS A28 ADENOSINE RECEPTOR ANTAGONISTS | ALMIRALL PRODESFARMA, SA (ES) | 2005-10-27 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090023763-A1 | Condensed Pyridine Derivatives Useful as A2B Adenosine Receptor Antagonists | ADORA2B, ADORA2A, ADORA1 | ALDH1A1 621/4885KDM4E 4381/4885CDK5 1173/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.