Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | CTSK | P43235 | 2/20 | 0.52 |
| ▸ | CTSL | P07711 | 1/20 | 0.52 |
| ▸ | CTSB | P07858 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | NAAA | Q02083 | 1/20 | 0.51 |
| ▸ | CASP3 | P42574 | 1/20 | 0.51 |
| ▸ | PREP | P48147 | 2/20 | 0.50 |
| ▸ | CASP1 | P29466 | 2/20 | 0.49 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | DPP4 | P27487 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9782054 | 0.86 | NAAA (0.53) | ALDH1A1GAACTSKCTSLCTSB | |
| SCHEMBL15200059 | 0.86 | NAAA (0.53) | ALDH1A1GAACTSKCTSLCTSB | |
| SCHEMBL10370558 | 0.86 | NAAA (0.53) | ALDH1A1GAACTSKCTSLCTSB | |
| SCHEMBL13043801 | 0.86 | CTSK (0.54) | ALDH1A1GAACTSKCTSLCTSB | |
| SCHEMBL4683464 | 0.86 | TSHR (0.53) | ALDH1A1GAACTSKCTSLCTSB | |
| SCHEMBL4679772 | 0.86 | TSHR (0.53) | ALDH1A1GAACTSKCTSLCTSB | |
| SCHEMBL14601914 | 0.86 | CTSK (0.54) | ALDH1A1GAACTSKCTSLCTSB | |
| SCHEMBL4679774 | 0.86 | TSHR (0.53) | ALDH1A1GAACTSKCTSLCTSB | |
| SCHEMBL18712231 | 0.85 | ALDH1A1 (0.51) | ALDH1A1GAACTSKCTSLCTSB | |
| SCHEMBL13244921 | 0.85 | ALDH1A1 (0.51) | ALDH1A1GAACTSKCTSLCTSB |
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-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 (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 | ALDH1A1 1651/4885GAA 1139/4885CTSK 2551/4885 |
| US-20130231323-A1 | ETHYNYLBENZENE DERIVATIVES | Q6ZSR9, EPX, ZYX | ALDH1A1 1651/4885GAA 1139/4885CTSK 2551/4885 |
“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.