Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.45 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2734472 | 0.90 | CYP2A13 (0.51) | CYP2A13KDM4EALDH1A1CXCR4POLB | |
| SCHEMBL6946335 | 0.89 | CYP2A13 (0.64) | CYP2A13KDM4EALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL8113067 | 0.89 | CYP2A13 (0.64) | CYP2A13KDM4EALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL19083687 | 0.82 | ACHE (0.61) | CYP2A13KDM4EALDH1A1CXCR4POLB | |
| SCHEMBL6945977 | 0.81 | CXCR4 (0.73) | CYP2A13KDM4EALDH1A1CXCR4POLB | |
| SCHEMBL19084133 | 0.79 | CYP2A13 (0.56) | CYP2A13KDM4EALDH1A1CXCR4POLB | |
| Hydrochloric Acid SCHEMBL11533303 | 0.79 | CXCR4 (0.71) | CYP2A13KDM4EALDH1A1CXCR4POLB | |
| SCHEMBL6941742 | 0.79 | ALDH1A1 (0.54) | CYP2A13KDM4EALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL19075616 | 0.78 | CYP2A13 (0.54) | CYP2A13KDM4EALDH1A1CXCR4POLB | |
| SCHEMBL28551278 | 0.78 | CYP2A13 (0.54) | CYP2A13KDM4EALDH1A1CXCR4POLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-104016977-B | A kind of replacement thiadiazine diketone derivative and preparation method thereof and application | 山东大学 | 2016-06-22 | — | — | CN | disclosed |
| CN-104016977-A | Substituted thiadiazine diketone derivative as well as preparation method and application thereof | UNIV SHANDONG | 2014-09-03 | — | — | CN | disclosed |
| US-6642231-B2 | Antineoplastic agents, treatment for neuronal injury and degeneration | AVENTIS PHARMACEUTICALS INC. | 2003-11-04 | — | — | US | disclosed |
| EP-1056744-B1 | 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | AVENTIS PHARMA INC (US) | 2003-10-22 | — | — | EP | disclosed |
| US-20030105098-A1 | 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines | AVENTISUB II INC. | 2003-06-05 | — | — | US | disclosed |
| US-6479487-B1 | INHIBIT CYCLIN DEPENDENT KINASES, PARTICULARLY CDK-2; ANTIAPOPTOSIS AGENT; INHIBITS DEVELOPMENT OF NEOPLASMS | AVENTIS PHARMACEUTICALS INC. | 2002-11-12 | — | — | US | disclosed |
| EP-1056744-A1 | 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | Aventis Pharmaceuticals Inc. (US) | 2000-12-06 | — | — | EP | disclosed |
| WO-1999043675-A1 | 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | AVENTIS PHARMACEUTICALS INC. (US) | 1999-09-02 | — | — | 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-20030105098-A1 | 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines | CDK6, CDK5, CDK2 | CYP2A13 3915/4885KDM4E 990/4885ALDH1A1 2147/4885 |
“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.