Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 2/20 | 0.58 |
| ▸ | CTSS | P25774 | 2/20 | 0.58 |
| ▸ | SIRT2 | Q8IXJ6 | 8/20 | 0.53 |
| ▸ | SIRT1 | Q96EB6 | 5/20 | 0.53 |
| ▸ | SIRT3 | Q9NTG7 | 4/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | CTSK | P43235 | 5/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL1119084 | 0.95 | CTSL (0.56) | CTSLCTSSSIRT2SIRT1SIRT3 | |
| SCHEMBL16907368 | 0.94 | CTSL (0.60) | CTSLCTSSSIRT2SIRT1SIRT3 | |
| SCHEMBL3941405 | 0.89 | CTSL (0.57) | CTSLCTSSSIRT2SIRT1SIRT3 | |
| SCHEMBL19123985 | 0.89 | CTSL (0.57) | CTSLCTSSSIRT2SIRT1SIRT3 | |
| SCHEMBL47273 | 0.89 | CTSL (0.57) | CTSLCTSSSIRT2SIRT1SIRT3 | |
| SCHEMBL9392638 | 0.89 | CTSL (0.57) | CTSLCTSSSIRT2SIRT1SIRT3 | |
| SCHEMBL16907369 | 0.88 | CTSL (0.59) | CTSLCTSSSIRT2SIRT1SIRT3 | |
| SCHEMBL17382634 | 0.87 | TLR2 (0.62) | CTSLCTSSSIRT2SIRT1SIRT3 | |
| SCHEMBL6059278 | 0.87 | CTSK (0.54) | CTSLCTSSALDH1A1CTSK | |
| SCHEMBL7215503 | 0.87 | CTSK (0.54) | CTSLCTSSALDH1A1CTSK |
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 | CTSL 1612/4885CTSS 1965/4885SIRT2 3699/4885 |
| US-20130231323-A1 | ETHYNYLBENZENE DERIVATIVES | Q6ZSR9, EPX, ZYX | CTSL 1612/4885CTSS 1965/4885SIRT2 3699/4885 |
“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.