Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 9/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | PGR | P06401 | 1/20 | 0.56 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | AR | P10275 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.56 |
| ▸ | DRD1 | P21728 | 1/20 | 0.56 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL74326 | 0.91 | ESR1 (0.65) | ESR1LMNAMAPTALOX15CYP2C9 | |
| SCHEMBL1171043 | 0.91 | ESR1 (0.65) | ESR1LMNAMAPTALOX15CYP2C9 | |
| Hydroquinone SCHEMBL28097256 | 0.91 | ESR1 (0.65) | ESR1LMNAMAPTALOX15CYP2C9 | |
| Propane SCHEMBL28264453 | 0.89 | ESR1 (0.62) | ESR1LMNAMAPTALOX15CYP2C9 | |
| SCHEMBL28544659 | 0.89 | ESR1 (0.62) | ESR1LMNAMAPTALOX15CYP2C9 | |
| Benzene SCHEMBL28219933 | 0.89 | ESR1 (0.62) | ESR1LMNAMAPTALOX15CYP2C9 | |
| SCHEMBL6546999 | 0.89 | ACHE (0.44) | ACHEESR1LMNAMAPTALOX15 | |
| SCHEMBL10608742 | 0.84 | ESR1 (0.58) | ESR1LMNAMAPTALOX15CYP2C9 | |
| SCHEMBL3155611 | 0.84 | ESR1 (0.58) | ESR1LMNAMAPTALOX15CYP2C9 | |
| Bicarbonate SCHEMBL10591562 | 0.84 | ESR1 (0.58) | ESR1LMNAMAPTALOX15CYP2C9 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8071565-B2 | Purine derivatives as a2a agonists | NOVARTIS AG (CH) | 2011-12-06 | — | — | US | disclosed |
| US-20100240680-A1 | Purine derivatives as a2a agonists | NOVARTIS AG (CH) | 2010-09-23 | — | — | US | disclosed |
| EP-2066669-B1 | ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2010-09-15 | — | — | EP | disclosed |
| WO-2009072002-A2 | BISPHENOLS IN CANCER THERAPY | UNIVERSITY OF MANITOBA (US) | 2009-06-11 | — | — | WO | disclosed |
| WO-2008031875-A1 | ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2008-03-20 | — | — | WO | disclosed |
| EP-1889846-A1 | Purine derivatives as A2a agonists | Novartis AG (CH) | 2008-02-20 | — | — | EP | disclosed |
| WO-2008006563-A1 | PURINE DERIVATIVES AS A2A AGONISTS | NOVARTIS AG (CH) | 2008-01-17 | — | — | WO | disclosed |
| WO-2007121918-A2 | USE OF 2-(PURIN-9-YL)-TETRAHYDOFURAN-3,4-DIOL DERIVATIVES AS ADENOSINE A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2007-11-01 | — | — | 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-20100240680-A1 | Purine derivatives as a2a agonists | ADORA2A, ADORA1, ADORA3 | ACHE 2715/4885ESR1 704/4885LMNA 2590/4885 |
“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.