Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.56 |
| ▸ | CA1 | P00915 | 4/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL254701 | 1.00 | CA2 (0.56) | CA2CA1NPC1RAB9ANPSR1 | |
| SCHEMBL19262697 | 0.95 | CA2 (0.59) | CA2CA1NPC1RAB9ANPSR1 | |
| SCHEMBL21800950 | 0.95 | CA2 (0.59) | CA2CA1NPC1RAB9ANPSR1 | |
| SCHEMBL254308 | 0.90 | CA2 (0.44) | CA2CA1NPC1RAB9A | |
| SCHEMBL159030 | 0.90 | CA2 (0.44) | CA2CA1NPC1RAB9A | |
| SCHEMBL5925541 | 0.89 | CA2 (0.68) | CA2CA1NPC1RAB9ANPSR1 | |
| SCHEMBL5925540 | 0.89 | CA2 (0.68) | CA2CA1NPC1RAB9ANPSR1 | |
| SCHEMBL15235723 | 0.87 | TAS1R3 (0.43) | CA2CA1NPC1RAB9A | |
| SCHEMBL157589 | 0.87 | CA2 (0.42) | CA2CA1NPC1RAB9A | |
| SCHEMBL15235724 | 0.87 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170349544-A1 | Ethynylbenzene Derivatives | DUKE UNIVERSITY | 2017-12-07 | — | — | US | claimed |
| US-20130231323-A1 | ETHYNYLBENZENE DERIVATIVES | DUKE UNIVERSITY (US) | 2013-09-05 | — | — | US | claimed |
| WO-2012031298-A2 | ETHYNYLBENZENE DERIVATIVES | DUKE UNIVERSITY (US) | 2012-03-08 | — | — | WO | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 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-20170349544-A1 | Ethynylbenzene Derivatives | Q6ZSR9, EPX, ZYX | CA2 3434/4885CA1 4842/4885NPC1 2783/4885 |
| US-20130231323-A1 | ETHYNYLBENZENE DERIVATIVES | Q6ZSR9, EPX, ZYX | CA2 3434/4885CA1 4842/4885NPC1 2783/4885 |
“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.