Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | AHR | P35869 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 2/20 | 0.39 |
| ▸ | METAP2 | P50579 | 2/20 | 0.39 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | ITK | Q08881 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17422765 | 0.94 | CYP19A1 (0.50) | CYP19A1AHRCYP2A6NR4A2NOS1 | |
| SCHEMBL17422906 | 0.92 | AHR (0.47) | AHRCYP2A6NR4A2NOS1METAP2 | |
| SCHEMBL17422874 | 0.87 | ESR1 (0.49) | CYP19A1AHRCYP2A6NOS1METAP2 | |
| SCHEMBL17433444 | 0.81 | CYP19A1 (0.62) | CYP19A1AHRCYP2A6NR4A2NOS1 | |
| SCHEMBL17422774 | 0.79 | CYP19A1 (0.47) | CYP19A1AHRCYP2A6NR4A2NOS1 | |
| SCHEMBL3002661 | 0.79 | CYP19A1 (0.47) | CYP19A1AHRCYP2A6NR4A2NOS1 | |
| SCHEMBL6336055 | 0.77 | AHR (0.44) | AHRCYP2A6NR4A2NOS1METAP2 | |
| SCHEMBL31568898 | 0.77 | AHR (0.44) | AHRCYP2A6NR4A2NOS1METAP2 | |
| SCHEMBL17422727 | 0.77 | AHR (0.44) | CYP19A1AHRCYP2A6NR4A2NOS1 | |
| SCHEMBL19713224 | 0.77 | AHR (0.44) | AHRCYP2A6NR4A2NOS1METAP2 |
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-20170216252-A1 | ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS | SIMON FRASER UNIVERSITY (CA) | 2017-08-03 | — | — | US | disclosed |
| US-20170216252-A1 | ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS | SIMON FRASER UNIVERSITY (CA) | 2017-08-03 | — | — | US | disclosed |
| WO-2016004513-A1 | ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS | SIMON FRASER UNIVERSITY (CA) | 2016-01-14 | — | — | WO | disclosed |
| WO-2016004513-A1 | ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS | SIMON FRASER UNIVERSITY (CA) | 2016-01-14 | — | — | 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-20170216252-A1 | ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS | PDK1, PDK3, PDK2 | CYP19A1 3822/4885AHR 4643/4885CYP2A6 3954/4885 |
“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.