Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.55 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | BRAF | P15056 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TOP2A | P11388 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 4/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5039982 | 0.83 | ADORA3 (0.56) | ADORA3ADORA2AADORA1CXCL12PIN1 | |
| SCHEMBL5998452 | 0.82 | ADORA3 (0.55) | ADORA3ADORA2AADORA1CXCL12PIN1 | |
| SCHEMBL740822 | 0.78 | PIN1 (0.56) | PIN1POLBCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7688478 | 0.76 | ADORA3 (0.69) | ADORA3ADORA2AADORA1 | |
| SCHEMBL9351658 | 0.76 | CYP1A2 (0.51) | ADORA3ADORA1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27469940 | 0.72 | CDK2 (0.51) | ADORA3ADORA2AADORA1CXCL12PIN1 | |
| Water SCHEMBL27520730 | 0.71 | CDK2 (0.50) | ADORA3ADORA2AADORA1CXCL12PIN1 | |
| SCHEMBL16147002 | 0.70 | CDK2 (0.64) | ADORA3ADORA2AADORA1CDK1CCNB1 | |
| SCHEMBL16146158 | 0.70 | PDE4A (0.64) | ADORA3ADORA2AADORA1PIN1POLB | |
| SCHEMBL5997048 | 0.70 | CDC7 (0.44) | ADORA3ADORA2AADORA1PIN1POLB |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060009642-A1 | Methods for the synthesis of substituted purines | IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) | 2006-01-12 | — | — | US | disclosed |
| US-6949644-B2 | Methods for the synthesis of substituted purines | IRM LLC (BM) | 2005-09-27 | — | — | US | disclosed |
| EP-1529048-A4 | METHODS FOR THE SYNTHESIS OF SUBSTITUTED PURINES | IRM LLC (BM) | 2005-09-14 | — | — | EP | disclosed |
| EP-1529048-A2 | METHODS FOR THE SYNTHESIS OF SUBSTITUTED PURINES | IRM LLC (BM) | 2005-05-11 | — | — | EP | disclosed |
| US-20030171583-A1 | Methods for the synthesis of substituted purines | IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) | 2003-09-11 | — | — | US | disclosed |
| WO-2003031405-A2 | METHODS FOR THE SYNTHESIS OF SUBSTITUTED PURINES | IRM LLC (BM) | 2003-04-17 | — | — | 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-20060009642-A1 | Methods for the synthesis of substituted purines | PNP, ATIC, NUDT1 | ADORA3 22/4885ADORA2A 25/4885ADORA1 51/4885 |
| US-20030171583-A1 | Methods for the synthesis of substituted purines | PNP, ATIC, NUDT1 | ADORA3 23/4885ADORA2A 26/4885ADORA1 51/4885 |
“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.