Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8115348 | 1.00 | KDM4E (0.37) | KDM4EGAACYP2D6KMT2AALDH1A1 | |
| SCHEMBL6943645 | 0.89 | ALDH1A1 (0.40) | KDM4EGAACYP2D6ALDH1A1TDP1 | |
| SCHEMBL6947802 | 0.86 | POLB (0.40) | CYP2D6KMT2AALDH1A1L3MBTL1 | |
| SCHEMBL124152 | 0.85 | — | — | |
| Diethylamine SCHEMBL8099606 | 0.83 | TP53 (0.35) | KDM4ECYP2D6KMT2AALDH1A1CYP3A4 | |
| Diethylamine SCHEMBL6948448 | 0.83 | TP53 (0.35) | KDM4ECYP2D6KMT2AALDH1A1CYP3A4 | |
| SCHEMBL6948499 | 0.83 | ALDH1A1 (0.39) | ALDH1A1L3MBTL1 | |
| Dimethylamine SCHEMBL6945823 | 0.83 | CYP2D6 (0.36) | KDM4ECYP2D6KMT2AALDH1A1CYP3A4 | |
| Iodide SCHEMBL8818510 | 0.83 | CYP2D6 (0.39) | KDM4EGAACYP2D6KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL2171665 | 0.83 | LMNA (0.40) | KDM4EGAACYP2D6KMT2AALDH1A1 |
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-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 |
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 | KDM4E 990/4885GAA 3891/4885CYP2D6 1607/4885 |
“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.