Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.64 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | TRPV6 | Q9H1D0 | 2/20 | 0.49 |
| ▸ | DRD2 | P14416 | 2/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CASP4 | P49662 | 1/20 | 0.47 |
| ▸ | CASP5 | P51878 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8099634 | 1.00 | CHRNB2 (0.64) | CHRNB2CHRNA4KDM4EALDH1A1TDP1 | |
| SCHEMBL16026435 | 0.82 | CHRNB2 (0.85) | CHRNB2CHRNA4KDM4EALDH1A1TDP1 | |
| SCHEMBL6947935 | 0.81 | HPGD (0.46) | KDM4EALDH1A1DRD2CASP1CASP4 | |
| SCHEMBL8107724 | 0.81 | HPGD (0.46) | KDM4EALDH1A1DRD2CASP1CASP4 | |
| SCHEMBL7270268 | 0.80 | SIGMAR1 (0.61) | KDM4ETDP1DRD4GFER | |
| SCHEMBL8099601 | 0.80 | CHRNB2 (0.70) | CHRNB2CHRNA4KDM4EALDH1A1TDP1 | |
| SCHEMBL1830945 | 0.80 | CHRNB2 (0.70) | CHRNB2CHRNA4KDM4EALDH1A1TDP1 | |
| SCHEMBL30711590 | 0.79 | CHRNB2 (0.93) | CHRNB2CHRNA4KDM4EALDH1A1TDP1 | |
| N-(3-Pyridylmethyl)Pyrrolidine SCHEMBL30341021 | 0.79 | CHRNB2 (1.00) | CHRNB2CHRNA4KDM4EALDH1A1TDP1 | |
| N-(3-Pyridylmethyl)Pyrrolidine SCHEMBL1538320 | 0.79 | CHRNB2 (1.00) | CHRNB2CHRNA4KDM4EALDH1A1TDP1 |
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 | CHRNB2 2526/4885CHRNA4 2455/4885KDM4E 990/4885 |
“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.