Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ADH1B | P00325 | 1/20 | 0.33 |
| ▸ | ADH1C | P00326 | 1/20 | 0.33 |
| ▸ | ADH1A | P07327 | 1/20 | 0.33 |
| ▸ | ADH7 | P40394 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | S1PR2 | O95136 | 3/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 3/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 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 | |
|---|---|---|---|---|
| SCHEMBL6949948 | 0.89 | KDM4E (0.37) | ALDH1A1KDM4ETDP1TSHRGAA | |
| SCHEMBL8115348 | 0.89 | KDM4E (0.37) | ALDH1A1KDM4ETDP1TSHRGAA | |
| SCHEMBL6947718 | 0.87 | ALDH1A1 (0.39) | ALDH1A1TSHRCYP1A2THRBHPGD | |
| SCHEMBL7246872 | 0.87 | ACE2 (0.42) | ALDH1A1KDM4ETSHRGAACYP1A2 | |
| SCHEMBL6947485 | 0.87 | POLB (0.38) | ALDH1A1TSHRGAACYP1A2POLB | |
| SCHEMBL6945104 | 0.86 | GNAI3 (0.41) | ALDH1A1TSHR | |
| SCHEMBL124152 | 0.82 | — | — | |
| Diethylamine SCHEMBL8099606 | 0.80 | TP53 (0.35) | ALDH1A1KDM4ETSHRPOLBL3MBTL1 | |
| Diethylamine SCHEMBL6948448 | 0.80 | TP53 (0.35) | ALDH1A1KDM4ETSHRPOLBL3MBTL1 | |
| SCHEMBL6948499 | 0.80 | ALDH1A1 (0.39) | ALDH1A1THRBHPGDL3MBTL1S1PR1 |
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 | ALDH1A1 2147/4885KDM4E 990/4885TDP1 210/4885 |
“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.