Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.60 |
| ▸ | CA1 | P00915 | 4/20 | 0.59 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | ACE | P12821 | 2/20 | 0.53 |
| ▸ | GPR132 | Q9UNW8 | 1/20 | 0.51 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.50 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | CTSB | P07858 | 1/20 | 0.48 |
| ▸ | CTSS | P25774 | 1/20 | 0.48 |
| ▸ | CTSK | P43235 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL15228102 | 0.91 | CA2 (0.61) | CA2CA1PTPN1NPC1RAB9A | |
| SCHEMBL7442291 | 0.90 | CA2 (0.71) | CA2CA1PTPN1NPC1RAB9A | |
| SCHEMBL7442309 | 0.90 | CA2 (0.71) | CA2CA1PTPN1NPC1RAB9A | |
| SCHEMBL15227747 | 0.90 | NPC1 (0.54) | NPC1RAB9ACTSBCTSSCTSK | |
| SCHEMBL15228031 | 0.90 | NPC1 (0.54) | NPC1RAB9ACTSBCTSSCTSK | |
| SCHEMBL15228151 | 0.85 | CA2 (0.49) | CA2CA1NPC1RAB9AALDH1A1 | |
| SCHEMBL15227746 | 0.85 | CA2 (0.57) | CA2CA1ALDH1A1CA12CA9 | |
| SCHEMBL15227888 | 0.84 | CA2 (0.56) | CA2CA1ALDH1A1 | |
| SCHEMBL159840 | 0.82 | CA2 (0.47) | CA2CA1NPC1RAB9AALDH1A1 | |
| SCHEMBL175667 | 0.81 | CA2 (0.58) | CA2CA1CA12CA9CTSB |
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 5 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-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 (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 | CA2 3434/4885CA1 4842/4885PTPN1 776/4885 |
| US-20170349544-A1 | Ethynylbenzene Derivatives | Q6ZSR9, EPX, ZYX | CA2 3434/4885CA1 4842/4885PTPN1 776/4885 |
| US-20130231323-A1 | ETHYNYLBENZENE DERIVATIVES | Q6ZSR9, EPX, ZYX | CA2 3434/4885CA1 4842/4885PTPN1 776/4885 |
“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.