Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | CASP1 | P29466 | 1/20 | 0.49 |
| ▸ | CASP7 | P55210 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | IGFBP3 | P17936 | 1/20 | 0.47 |
| ▸ | RAC1 | P63000 | 6/20 | 0.39 |
| ▸ | CDC42 | P60953 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | STAT3 | P40763 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.35 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24925225 | 0.82 | LMNA (0.42) | CYP2A6CYP1A2CYP2D6CYP2C9ALOX15 | |
| SCHEMBL21133778 | 0.78 | CYP2A6 (0.54) | CYP2A6CYP1A2CYP2D6HSD17B10KDM4E | |
| SCHEMBL29431723 | 0.78 | CYP2A6 (0.53) | CYP2A6CASP1CASP7KDM4EALDH1A1 | |
| SCHEMBL1563592 | 0.78 | CYP2A6 (0.53) | CYP2A6CASP1CASP7KDM4EALDH1A1 | |
| SCHEMBL1562651 | 0.78 | CYP2A6 (0.53) | CYP2A6CYP1A2CASP1CASP7ALDH1A1 | |
| Bromide SCHEMBL21436095 | 0.76 | CYP2A6 (0.52) | CYP2A6CYP1A2CASP1CASP7ALDH1A1 | |
| SCHEMBL7514592 | 0.75 | CYP2A6 (0.67) | CYP2A6CYP1A2CYP2D6HSD17B10KDM4E | |
| SCHEMBL26873044 | 0.73 | CYP2A6 (0.64) | CYP2A6CYP1A2CYP2D6ALOX15CASP1 | |
| SCHEMBL8404535 | 0.72 | CYP2A6 (0.57) | CYP2A6CYP1A2KDM4EALDH1A1UHRF1 | |
| SCHEMBL2757278 | 0.72 | CYP2A6 (0.57) | CYP2A6CYP1A2HSD17B10KDM4EALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150299223-A1 | 2-SUBSTITUTED CEPHEM COMPOUNDS | GLAXO GROUP LTD (GB) | 2015-10-22 | — | — | US | disclosed |
| US-20130289083-A1 | IDO Inhibitors | NEWLINK GENETICS CORPORATION | 2013-10-31 | — | — | US | disclosed |
| US-20130289083-A1 | IDO Inhibitors | NEWLINK GENETICS CORPORATION | 2013-10-31 | — | — | US | disclosed |
| US-20110053941-A1 | IDO Inhibitors | NEWLINK GENETICS (US) | 2011-03-03 | — | — | US | disclosed |
| US-20110053941-A1 | IDO Inhibitors | NEWLINK GENETICS (US) | 2011-03-03 | — | — | US | disclosed |
| US-20110053941-A1 | IDO Inhibitors | NEWLINK GENETICS (US) | 2011-03-03 | — | — | US | disclosed |
| EP-0373216-A1 | CEPHALOSPORIN COMPOUNDS OR THEIR SALTS, PROCESS FOR THEIR PREPARATION, AND PARMACEUTICAL COMPOSITIONS | TEIJIN LIMITED (JP) | 1990-06-20 | — | — | EP | disclosed |
| EP-0347459-A1 | CEPHALOSPORIN COMPOUNDS OR THEIR SALTS, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS | TEIJIN LIMITED (JP) | 1989-12-27 | — | — | EP | 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 (3 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-20110053941-A1 | IDO Inhibitors | IDO1, IDO2, INMT | CYP2A6 718/4885CYP1A2 410/4885CYP2D6 322/4885 |
| US-20130289083-A1 | IDO Inhibitors | IDO1, IDO2, INMT | CYP2A6 776/4885CYP1A2 450/4885CYP2D6 324/4885 |
| US-20150299223-A1 | 2-SUBSTITUTED CEPHEM COMPOUNDS | CEP170, ABL1, CEPT1 | CYP2A6 1610/4885CYP1A2 976/4885CYP2D6 1194/4885 |
“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.