Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18867735 | 0.80 | SMN1; SMN2 (0.38) | SMN1; SMN2ALDH1A1TDP1CA14MEN1 | |
| SCHEMBL15198769 | 0.79 | METAP2 (0.36) | ALDH1A1 | |
| SCHEMBL1009849 | 0.75 | — | — | |
| SCHEMBL7768006 | 0.75 | TSHR (0.43) | ALDH1A1TDP1HPGDHIF1A | |
| SCHEMBL28118230 | 0.73 | ALDH1A1 (0.33) | ALDH1A1HPGDHIF1A | |
| SCHEMBL320222 | 0.72 | SMN1; SMN2 (0.50) | SMN1; SMN2ALDH1A1CA14KMT2ACA12 | |
| SCHEMBL13266324 | 0.72 | SMN1; SMN2 (0.50) | SMN1; SMN2ALDH1A1CA14KMT2ACA12 | |
| SCHEMBL590894 | 0.72 | SMN1; SMN2 (0.50) | SMN1; SMN2ALDH1A1CA14KMT2ACA12 | |
| SCHEMBL6064611 | 0.72 | SMN1; SMN2 (0.50) | SMN1; SMN2ALDH1A1CA14KMT2ACA12 | |
| SCHEMBL590895 | 0.72 | SMN1; SMN2 (0.50) | SMN1; SMN2ALDH1A1CA14KMT2ACA12 |
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 12 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-20170349544-A1 | Ethynylbenzene Derivatives | DUKE UNIVERSITY | 2017-12-07 | — | — | 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-9738604-B2 | Ethynylbenzene derivatives | DUKE UNIVERSITY (US) | 2017-08-22 | — | — | 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 |
| US-20130231323-A1 | ETHYNYLBENZENE DERIVATIVES | DUKE UNIVERSITY (US) | 2013-09-05 | — | — | 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 |
| 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 | SMN1; SMN2 4714/4885ALDH1A1 1651/4885TDP1 3187/4885 |
| US-20170349544-A1 | Ethynylbenzene Derivatives | Q6ZSR9, EPX, ZYX | SMN1; SMN2 4714/4885ALDH1A1 1651/4885TDP1 3187/4885 |
| US-20130231323-A1 | ETHYNYLBENZENE DERIVATIVES | Q6ZSR9, EPX, ZYX | SMN1; SMN2 4714/4885ALDH1A1 1651/4885TDP1 3187/4885 |
“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.