Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 6/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.33 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.33 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15237907 | 0.84 | TSHR (0.48) | TSHRALDH1A1MAPK1HPGDUSP2 | |
| SCHEMBL255151 | 0.84 | TSHR (0.44) | TSHRALDH1A1MAPK1HPGDUSP2 | |
| SCHEMBL15235754 | 0.81 | TSHR (0.42) | TSHRALDH1A1MAPK1HPGDUSP2 | |
| SCHEMBL15235756 | 0.69 | HPGD (0.40) | ALDH1A1MAPK1HPGDUSP2NPC1 | |
| SCHEMBL15237905 | 0.69 | TSHR (0.48) | TSHR | |
| SCHEMBL24863646 | 0.67 | MLYCD (0.41) | ALDH1A1MAPK1HPGDUSP2NPC1 | |
| SCHEMBL28023317 | 0.67 | HPGD (0.48) | ALDH1A1MAPK1HPGDUSP2NPC1 | |
| SCHEMBL15235761 | 0.65 | PPARG (0.40) | TSHRALDH1A1HPGDUSP2NPC1 | |
| SCHEMBL12240328 | 0.65 | HPGD (0.49) | ALDH1A1HPGDUSP2NPC1TP53 | |
| SCHEMBL28023324 | 0.65 | HPGD (0.45) | ALDH1A1MAPK1HPGDUSP2NPC1 |
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 | TSHR 1690/4885ALDH1A1 1651/4885MAPK1 3489/4885 |
| US-20130231323-A1 | ETHYNYLBENZENE DERIVATIVES | Q6ZSR9, EPX, ZYX | TSHR 1690/4885ALDH1A1 1651/4885MAPK1 3489/4885 |
“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.