Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.47 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.47 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.47 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.47 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.47 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.47 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL18719808 | 0.89 | CA2 (0.60) | HPGDCA2CA1PTGS2PTGS1 | |
| SCHEMBL12416976 | 0.88 | CA2 (0.73) | HPGDCA2CA1PTGS2PTGS1 | |
| SCHEMBL5315002 | 0.79 | PTGS2 (0.76) | CA2CA1PTGS2PTGS1CA12 | |
| SCHEMBL15896224 | 0.79 | CA12 (0.56) | HPGDCA2CA1PTGS2PTGS1 | |
| SCHEMBL5315004 | 0.79 | PTGS2 (0.76) | CA2CA1PTGS2PTGS1CA12 | |
| SCHEMBL12416919 | 0.77 | CA2 (0.77) | CA2CA1PTGS2PTGS1CA12 | |
| SCHEMBL16119635 | 0.76 | MAPT (0.57) | HPGDALDH1A1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL12416758 | 0.74 | CA1 (0.57) | HPGDCA2CA1ALDH1A1CYP1A2 | |
| SCHEMBL12416959 | 0.73 | ACHE (0.55) | HPGDCA2CA1PTGS2PTGS1 | |
| SCHEMBL2316541 | 0.73 | GRIN2D (0.64) | HPGDALDH1A1CYP1A1CYP1A2CYP1B1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170100414-A1 | SMALL MOLECULE EFFLUX PUMP INHIBITORS | UNIVERSITY OF ROCHESTER (US) | 2017-04-13 | — | — | 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-20170100414-A1 | SMALL MOLECULE EFFLUX PUMP INHIBITORS | ABCB11, ABCB1, ABCC1 | HPGD 424/4885CA2 2754/4885CA1 4863/4885 |
“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.