Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 3/20 | 0.61 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 3/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | MPO | P05164 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | FPR2 | P25090 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2404607 | 0.90 | ESR2 (0.53) | THRBESR2ALDH1A1GAAPOLB | |
| SCHEMBL14475642 | 0.90 | MAPT (0.59) | THRBESR2ALDH1A1GAAPOLB | |
| SCHEMBL2403990 | 0.89 | ESR2 (0.53) | THRBESR2ALDH1A1GAAPOLB | |
| SCHEMBL14475948 | 0.89 | ESR2 (0.54) | THRBESR2ALDH1A1GAAPOLB | |
| SCHEMBL2406594 | 0.88 | FPR2 (0.62) | ESR2ALDH1A1POLBMAPTTP53 | |
| SCHEMBL2402356 | 0.88 | ESR2 (0.54) | THRBESR2ALDH1A1GAAPOLB | |
| SCHEMBL13831523 | 0.87 | KMT2A (0.65) | THRBALDH1A1GAAPOLBMAPT | |
| SCHEMBL2404195 | 0.87 | MAPT (0.56) | THRBESR2ALDH1A1POLBMAPT | |
| SCHEMBL2402670 | 0.86 | MAPT (0.52) | THRBESR2ALDH1A1GAAPOLB | |
| SCHEMBL2405313 | 0.86 | ESR2 (0.52) | THRBESR2ALDH1A1GAAPOLB |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9381172-B2 | Small molecule choline kinase inhibitors, screening assays, and methods for treatment of neoplastic disorders | UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) | 2016-07-05 | — | — | US | disclosed |
| US-9381172-B2 | Small molecule choline kinase inhibitors, screening assays, and methods for treatment of neoplastic disorders | UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) | 2016-07-05 | — | — | US | disclosed |
| US-9381172-B2 | Small molecule choline kinase inhibitors, screening assays, and methods for treatment of neoplastic disorders | UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) | 2016-07-05 | — | — | US | disclosed |
| US-20130012557-A1 | Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Treatment of Neoplastic Disorders | UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) | 2013-01-10 | — | — | US | disclosed |
| US-20130012557-A1 | Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Treatment of Neoplastic Disorders | UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) | 2013-01-10 | — | — | US | disclosed |
| US-20130012557-A1 | Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Treatment of Neoplastic Disorders | UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) | 2013-01-10 | — | — | US | disclosed |
| US-20110212994-A1 | Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Safe and Effective Treatment of Neoplastic Disorders | CLEM BRIAN | 2011-09-01 | — | — | US | disclosed |
| US-20110212994-A1 | Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Safe and Effective Treatment of Neoplastic Disorders | CLEM BRIAN | 2011-09-01 | — | — | US | disclosed |
| US-20110212994-A1 | Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Safe and Effective Treatment of Neoplastic Disorders | CLEM BRIAN | 2011-09-01 | — | — | 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 (2 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-20110212994-A1 | Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Safe and Effective Treatment of Neoplastic Disorders | CHKB, CHKA, CHAT | THRB 1372/4885ESR2 3666/4885ALDH1A1 1947/4885 |
| US-20130012557-A1 | Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Treatment of Neoplastic Disorders | CHKB, CHKA, CHAT | THRB 1336/4885ESR2 3758/4885ALDH1A1 2030/4885 |
“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.