Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.61 |
| ▸ | CA1 | P00915 | 3/20 | 0.61 |
| ▸ | CA12 | O43570 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CRHBP | P24387 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.45 |
| ▸ | FNTA | P49354 | 3/20 | 0.45 |
| ▸ | FNTB | P49356 | 3/20 | 0.45 |
| ▸ | PGGT1B | P53609 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9432949 | 0.90 | CA2 (0.72) | CA2CA1CA12CA9ALDH1A1 | |
| SCHEMBL9830498 | 0.90 | CA2 (0.72) | CA2CA1CA12CA9ALDH1A1 | |
| SCHEMBL15227748 | 0.84 | CA2 (0.58) | CA2CA1CA12CA9FOLH1 | |
| SCHEMBL15228151 | 0.83 | CA2 (0.49) | CA2CA1ALDH1A1L3MBTL1 | |
| SCHEMBL15227746 | 0.83 | CA2 (0.57) | CA2CA1CA12CA9ALDH1A1 | |
| SCHEMBL175667 | 0.82 | CA2 (0.58) | CA2CA1CA12CA9 | |
| SCHEMBL15904233 | 0.82 | CA2 (0.64) | CA2CA1CA12CA9ALDH1A1 | |
| SCHEMBL15227888 | 0.82 | CA2 (0.56) | CA2CA1ALDH1A1L3MBTL1 | |
| SCHEMBL159840 | 0.81 | CA2 (0.47) | CA2CA1ALDH1A1L3MBTL1 | |
| Cysteine SCHEMBL8365455 | 0.81 | CA2 (0.60) | CA2CA1CA12CA9ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10597361-B2 | Ethynylbenzene derivatives | DUKE UNIVERSITY (US) | 2020-03-24 | — | — | US | disclosed |
| US-20170349544-A1 | Ethynylbenzene Derivatives | DUKE UNIVERSITY | 2017-12-07 | — | — | US | disclosed |
| US-9738604-B2 | Ethynylbenzene derivatives | DUKE UNIVERSITY (US) | 2017-08-22 | — | — | US | disclosed |
| US-20130231323-A1 | ETHYNYLBENZENE DERIVATIVES | DUKE UNIVERSITY (US) | 2013-09-05 | — | — | US | disclosed |
| WO-2012031298-A2 | ETHYNYLBENZENE DERIVATIVES | DUKE UNIVERSITY (US) | 2012-03-08 | — | — | 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 (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-10597361-B2 | Ethynylbenzene derivatives | Q6ZSR9, EPX, ZYX | CA2 3434/4885CA1 4842/4885CA12 3350/4885 |
| US-20170349544-A1 | Ethynylbenzene Derivatives | Q6ZSR9, EPX, ZYX | CA2 3434/4885CA1 4842/4885CA12 3350/4885 |
| US-20130231323-A1 | ETHYNYLBENZENE DERIVATIVES | Q6ZSR9, EPX, ZYX | CA2 3434/4885CA1 4842/4885CA12 3350/4885 |
“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.