Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.57 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 7/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19568041 | 0.83 | ALOX5 (0.51) | ALDH1A1KDM4ESMN1; SMN2CYP2C19CYP1A2 | |
| SCHEMBL2056342 | 0.82 | ALDH1A1 (0.62) | ALDH1A1KDM4ESMN1; SMN2CYP2C19ALOX5 | |
| SCHEMBL9538809 | 0.82 | ALDH1A1 (0.62) | ALDH1A1KDM4ESMN1; SMN2CYP2C19CYP1A2 | |
| SCHEMBL9970929 | 0.82 | ALDH1A1 (0.56) | ALDH1A1KDM4ESMN1; SMN2CYP2C19CYP1A2 | |
| SCHEMBL805141 | 0.81 | CYP2C19 (0.64) | ALDH1A1KDM4ESMN1; SMN2CYP2C19CYP1A2 | |
| SCHEMBL4343079 | 0.79 | NQO2 (0.53) | ALDH1A1KDM4ESMN1; SMN2CYP2C19CYP1A2 | |
| SCHEMBL805155 | 0.79 | ALDH1A1 (0.60) | ALDH1A1KDM4ESMN1; SMN2CYP2C19CYP1A2 | |
| SCHEMBL14541695 | 0.77 | NQO2 (0.52) | ALDH1A1KDM4ESMN1; SMN2CYP2C19CYP1A2 | |
| SCHEMBL20782208 | 0.76 | ALOX5 (0.45) | ALDH1A1KDM4ESMN1; SMN2CYP2C19CYP1A2 | |
| SCHEMBL20621396 | 0.75 | MAPT (0.81) | ALDH1A1KDM4ESMN1; SMN2CYP2C19CYP1A2 |
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-20120178749-A1 | NS1 PROTEIN INHIBITORS | ROTH MICHAEL (US) | 2012-07-12 | — | — | US | disclosed |
| US-20120071652-A1 | Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof | CORNERSTONE THERAPEUTICS, INC. (US) | 2012-03-22 | — | — | US | disclosed |
| US-8119656-B2 | Inhibitors of the influenza virus non-structural 1 protein | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2012-02-21 | — | — | US | disclosed |
| US-7943622-B2 | Piperazines, pharmaceutical compositions and methods of use thereof | CORNERSTONE THERAPEUTICS, INC. (US) | 2011-05-17 | — | — | US | disclosed |
| US-20090170840-A1 | NS1 protein inhibitors | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM | 2009-07-02 | — | — | US | disclosed |
| US-20080051415-A1 | Novel piperazines, pharmaceutical compositions and methods of use thereof | THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH | 2008-02-28 | — | — | 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 (4 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-20090170840-A1 | NS1 protein inhibitors | MAVS, SERPINB1, SPINT2 | ALDH1A1 3348/4885KDM4E 2872/4885SMN1; SMN2 2775/4885 |
| US-20120071652-A1 | Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof | CHRNA7, CHRNA5, CHRNA2 | ALDH1A1 1032/4885KDM4E 3410/4885SMN1; SMN2 782/4885 |
| US-20120178749-A1 | NS1 PROTEIN INHIBITORS | MAVS, SERPINB1, SPINT2 | ALDH1A1 3348/4885KDM4E 2872/4885SMN1; SMN2 2775/4885 |
| US-20080051415-A1 | Novel piperazines, pharmaceutical compositions and methods of use thereof | CHRNA7, CHRNA5, CHRNA2 | ALDH1A1 1032/4885KDM4E 3410/4885SMN1; SMN2 782/4885 |
“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.