Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.37 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.36 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16841023 | 0.82 | ACACB (0.44) | ACACBL3MBTL1SLC6A4SLC6A3MAOB | |
| SCHEMBL28766882 | 0.80 | ACACB (0.51) | ACACBLMNAEPHX2POLBMRGPRX4 | |
| SCHEMBL28659226 | 0.79 | ACACB (0.50) | ACACBL3MBTL1MAOBAOC3MAPT | |
| SCHEMBL1065335 | 0.79 | ACACB (0.43) | ACACBL3MBTL1SLC6A4SLC6A3MAOB | |
| SCHEMBL80921 | 0.79 | ACACB (0.46) | ACACBL3MBTL1MAOBAOC3LMNA | |
| SCHEMBL16298701 | 0.78 | APP (0.52) | ACACBL3MBTL1CYP2A6CYP2C9CHRNB2 | |
| SCHEMBL16922731 | 0.77 | ACACB (0.42) | ACACBL3MBTL1CYP2C9CYP2C19MAOB | |
| SCHEMBL16922733 | 0.77 | ACACB (0.42) | ACACBL3MBTL1CYP2C9CYP2C19MAOB | |
| SCHEMBL19599384 | 0.77 | ACACB (0.42) | ACACBMAOBAOC3KIF11 | |
| SCHEMBL19313723 | 0.77 | ACACB (0.42) | ACACBL3MBTL1CYP2C9CYP2C19MAOB |
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 | ACACB 461/4885L3MBTL1 3969/4885SLC6A4 4412/4885 |
“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.