Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.58 |
| ▸ | CYP2A13 | Q16696 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.55 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8107627 | 1.00 | SIGMAR1 (0.58) | SIGMAR1CYP2A13ALDH1A1KDM4EPLA2G1B | |
| SCHEMBL6941394 | 0.82 | CYP2A13 (0.56) | CYP2A13ALDH1A1KDM4ERAB9ACXCR4 | |
| SCHEMBL11360607 | 0.80 | SIGMAR1 (0.85) | SIGMAR1CYP2A13ALDH1A1KDM4EPLA2G1B | |
| SCHEMBL7270268 | 0.80 | SIGMAR1 (0.61) | SIGMAR1KDM4EGAAMAPTLMNA | |
| SCHEMBL5675319 | 0.78 | SIGMAR1 (0.64) | SIGMAR1CYP2A13ALDH1A1KDM4EPLA2G1B | |
| SCHEMBL8108285 | 0.78 | SIGMAR1 (0.64) | SIGMAR1CYP2A13ALDH1A1KDM4EPLA2G1B | |
| SCHEMBL23851311 | 0.77 | SIGMAR1 (0.72) | SIGMAR1CYP2A13ALDH1A1KDM4EPLA2G1B | |
| SCHEMBL9417737 | 0.77 | SIGMAR1 (0.72) | SIGMAR1CYP2A13ALDH1A1KDM4EPLA2G1B | |
| Hydrochloric Acid SCHEMBL11467058 | 0.75 | SIGMAR1 (0.70) | SIGMAR1CYP2A13ALDH1A1KDM4EPLA2G1B | |
| SCHEMBL5738303 | 0.75 | ALDH1A1 (0.73) | SIGMAR1CYP2A13ALDH1A1KDM4EPLA2G1B |
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-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 | SIGMAR1 4659/4885CYP2A13 3915/4885ALDH1A1 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.