Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.64 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.64 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.63 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.57 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.57 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.57 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.57 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.57 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.57 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.57 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.57 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.57 |
| ▸ | HSP90AB1 | P08238 | 10/20 | 0.56 |
| ▸ | HSP90AA1 | P07900 | 9/20 | 0.56 |
| ▸ | PDE4A | P27815 | 2/20 | 0.51 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.51 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.51 |
| ▸ | PDE5A | O76074 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL9738574 | 0.87 | ADORA2A (0.66) | ADORA2AADORA1HDAC6HSP90AB1HSP90AA1 | |
| SCHEMBL23416524 | 0.86 | ADORA2A (0.63) | ADORA2AADORA1HDAC6HDAC1HDAC2 | |
| SCHEMBL3138769 | 0.82 | PDE4A (0.70) | ADORA2AADORA1HDAC6HDAC1HDAC2 | |
| SCHEMBL6272417 | 0.82 | ALDH1A1 (0.66) | ADORA2AADORA1HDAC6HDAC1HDAC2 | |
| SCHEMBL3268278 | 0.81 | ADORA2A (0.60) | ADORA2AADORA1HDAC6PDE4APDE4B | |
| SCHEMBL9739023 | 0.81 | PDE4A (0.72) | ADORA2AADORA1HDAC6PDE4APDE4B | |
| SCHEMBL9738116 | 0.81 | ADORA2A (0.60) | ADORA2AADORA1HDAC6PDE4APDE4B | |
| SCHEMBL3269162 | 0.81 | ADORA2A (0.60) | ADORA2AADORA1HDAC6PDE4APDE4B | |
| SCHEMBL3268280 | 0.81 | ADORA2A (0.57) | ADORA2AADORA1HDAC6HDAC1HDAC2 | |
| SCHEMBL3390714 | 0.81 | HDAC6 (0.54) | ADORA2AADORA1HDAC6HDAC1HDAC2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1349857-B1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RES LTD (GB) | 2010-06-16 | — | — | EP | disclosed |
| US-7452894-B2 | Purine derivatives as purinergic receptor antagonists | VERNALIS RESEARCH LIMITED (GB) | 2008-11-18 | — | — | US | disclosed |
| US-20060270691-A1 | Purine derivatives as purinergic receptor antagonists | VERNALIS RESEARCH LIMITED | 2006-11-30 | — | — | US | disclosed |
| CN-1617871-A | Purine derivatives as purinergic receptor antagonists | VERNALIS RES LTD (GB) | 2005-05-18 | — | — | CN | disclosed |
| US-20040102459-A1 | Purine derivatives as purinergic receptor antagonists | VERNALIS RESEARCH LIMITED (GB) | 2004-05-27 | — | — | US | disclosed |
| EP-1349857-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055521-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | 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 (2 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-20060270691-A1 | Purine derivatives as purinergic receptor antagonists | CHRNA10, CHRNA5, CHRNA4 | ADORA2A 14/4885ADORA1 17/4885HDAC6 3406/4885 |
| US-20040102459-A1 | Purine derivatives as purinergic receptor antagonists | OPRL1, CNR1, CNR2 | ADORA2A 13/4885ADORA1 28/4885HDAC6 2987/4885 |
“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.