Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | IDH1 | O75874 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MDM4 | O15151 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27433747 | 0.84 | MRGPRX4 (0.45) | ALDH1A1MRGPRX4CYP3A4BCHEHDAC4 | |
| SCHEMBL21465877 | 0.84 | ALDH1A1 (0.54) | ALDH1A1CYP3A4IDH1CA2SMN1; SMN2 | |
| SCHEMBL6709375 | 0.84 | ALDH1A1 (0.73) | ALDH1A1CYP3A4IDH1KDM4ECA2 | |
| SCHEMBL13498025 | 0.83 | MRGPRX4 (0.44) | ALDH1A1MRGPRX4CYP3A4BCHEHDAC4 | |
| SCHEMBL18025553 | 0.81 | TNKS2 (0.45) | ALDH1A1CYP3A4BCHEHDAC4HDAC8 | |
| SCHEMBL19245035 | 0.80 | MRGPRX4 (0.42) | ALDH1A1MRGPRX4KDM4EMAPTPTGER3 | |
| SCHEMBL8006943 | 0.80 | AOC3 (0.50) | ALDH1A1MRGPRX4CYP3A4HDAC4HDAC8 | |
| Hydrochloric Acid SCHEMBL7995210 | 0.79 | AOC3 (0.51) | ALDH1A1MRGPRX4SMN1; SMN2HPGDPTGER3 | |
| SCHEMBL873057 | 0.79 | ALDH1A1 (0.60) | ALDH1A1CYP3A4KDM4ESMN1; SMN2RXRA | |
| SCHEMBL2385123 | 0.79 | ALDH1A1 (0.66) | ALDH1A1CYP3A4IDH1TYRALOX15 |
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-8106031-B2 | Hydrolytically-resistant boron-containing therapeutics and methods of use | ANACOR PHARMACEUTICALS, INC. (US) | 2012-01-31 | — | — | US | disclosed |
| US-8106031-B2 | Hydrolytically-resistant boron-containing therapeutics and methods of use | ANACOR PHARMACEUTICALS, INC. (US) | 2012-01-31 | — | — | US | disclosed |
| EP-1947102-A1 | Compositions comprising diazepinoindole derivatives as kinase inhibitors | Pfizer, Inc. (US) | 2008-07-23 | — | — | EP | disclosed |
| US-20070265226-A1 | Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use | ANACOR PHARMACEUTICALS (US) | 2007-11-15 | — | — | 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-20070265226-A1 | Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use | GAA, BTD, MANBA | ALDH1A1 2088/4885MRGPRX4 1987/4885CYP3A4 1465/4885 |
“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.