Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.44 |
| ▸ | ACACB | O00763 | 3/20 | 0.39 |
| ▸ | GHSR | Q92847 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.34 |
| ▸ | CCR5 | P51681 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL3882526 | 0.83 | NLRP3 (0.46) | NLRP3ACACBGHSRMAOACHRM4 | |
| SCHEMBL5177928 | 0.81 | KDM4E (0.39) | ACACBFFAR1 | |
| SCHEMBL5175332 | 0.79 | PKM (0.42) | ACACBHRH3LMNAMEN1KMT2A | |
| SCHEMBL3871621 | 0.78 | TRPV1 (0.41) | ACACBFFAR1CCR5 | |
| SCHEMBL3874761 | 0.76 | TRPV1 (0.40) | ACACBMAOAFFAR1HRH3LMNA | |
| SCHEMBL27693048 | 0.73 | ACACB (0.46) | ACACBFFAR1HRH3MEN1KMT2A | |
| SCHEMBL4303906 | 0.72 | NLRP3 (0.58) | NLRP3MEN1KMT2A | |
| SCHEMBL3875970 | 0.71 | NLRP3 (0.48) | NLRP3ACACBCHRNA7KCNH2 | |
| SCHEMBL6675330 | 0.70 | NLRP3 (0.64) | NLRP3ACACBMAOAMEN1KMT2A | |
| SCHEMBL3427835 | 0.70 | EPHX2 (0.59) | NLRP3GHSRCHRNA7KCNH2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101001837-B | Indole derivatives comprising an acetylene group as PPAR activators | HOFFMANN LA ROCHE | 2012-11-07 | — | — | CN | disclosed |
| EP-1781608-B1 | INDOLE DERIVATIVES COMPRISING AN ACETYLENE GROUP AS PPAR ACTIVATORS | HOFFMANN LA ROCHE (CH) | 2009-10-21 | — | — | EP | disclosed |
| US-7405236-B2 | Indole derivatives comprising an acetylene group | HOFFMAN-LA ROCHE INC. (US) | 2008-07-29 | — | — | US | disclosed |
| CN-101001837-A | Indole derivatives comprising an acetylene group as PPAR activators | HOFFMANN LA ROCHE (CH) | 2007-07-18 | — | — | CN | disclosed |
| EP-1781608-A1 | INDOLE DERIVATIVES COMPRISING AN ACETYLENE GROUP AS PPAR ACTIVATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-05-09 | — | — | EP | disclosed |
| WO-2006018174-A1 | INDOLE DERIVATIVES COMPRISING AN ACETYLENE GROUP AS PPAR ACTIVATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-02-23 | — | — | WO | disclosed |
| US-20060035956-A1 | e.g. {6-[5-(4-trifluoromethoxy-phenyl)-pent-4-ynyloxy]-indol-1-yl}-acetic acid; peroxisome proliferator activated receptor PPAR delta or PPAR alpha agonist; antidiabetic, antiinflammatory agent, cardiovascular disorders; non-insulin dependent diabetes, insulin resistance, atherosclerosis | HOFFMANN-LA ROCHE INC. | 2006-02-16 | — | — | US | 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 (1 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-20060035956-A1 | e.g. {6-[5-(4-trifluoromethoxy-phenyl)-pent-4-ynyloxy]-indol-1-yl}-acetic acid; peroxisome proliferator activated receptor PPAR delta or PPAR alpha agonist; antidiabetic, antiinflammatory agent, cardiovascular disorders; non-insulin dependent diabetes, insulin resistance, atherosclerosis | PPARD, PPARG, PPARA | NLRP3 1193/4885ACACB 461/4885GHSR 150/4885 |
“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.