Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.55 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | NQO1 | P15559 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13633788 | 0.82 | IKBKB (0.47) | IKBKBS1PR1APPCYP2A6ADRB2 | |
| SCHEMBL5761525 | 0.81 | IKBKB (0.46) | IKBKBS1PR1APPCYP2A6ADRB2 | |
| SCHEMBL4885386 | 0.79 | PPARG (0.49) | IKBKBS1PR1APPCYP2A6ADRB2 | |
| SCHEMBL19961702 | 0.74 | IKBKB (0.51) | IKBKBAPP | |
| SCHEMBL29742225 | 0.74 | IKBKB (0.51) | IKBKBAPP | |
| SCHEMBL13633783 | 0.72 | PPARG (0.43) | CYP2A6HSD17B1HSD17B2PPARGPPARA | |
| SCHEMBL29732980 | 0.72 | APP (0.63) | APPCYP2A6ADRB2HSD17B1HSD17B2 | |
| SCHEMBL845603 | 0.72 | APP (0.63) | APPCYP2A6ADRB2HSD17B1HSD17B2 | |
| SCHEMBL13633786 | 0.72 | ALDH1A1 (0.46) | PPARGPPARA | |
| SCHEMBL12606836 | 0.70 | PSMB8 (0.51) | IKBKBS1PR1APPCYP2A6ASIC3 |
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-20090275565-A1 | Substituted aralkyl derivatives | CADILA HEALTHCARE LIMITED (IN) | 2009-11-05 | — | — | US | disclosed |
| US-20090275565-A1 | Substituted aralkyl derivatives | CADILA HEALTHCARE LIMITED (IN) | 2009-11-05 | — | — | US | disclosed |
| EP-1569916-B1 | SUBSTITUTED ARALKYL DERIVATIVES | CADILA HEALTHCARE LTD (IN) | 2009-01-07 | — | — | EP | disclosed |
| US-20070275956-A1 | Novel Heterocyclic Compounds | CADILA HEALTHCARE LIMITED (IN) | 2007-11-29 | — | — | US | disclosed |
| US-20070275956-A1 | Novel Heterocyclic Compounds | CADILA HEALTHCARE LIMITED (IN) | 2007-11-29 | — | — | 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 (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-20070275956-A1 | Novel Heterocyclic Compounds | CYP46A1, DHCR7, NPC1L1 | IKBKB 585/4885S1PR1 2764/4885APP 504/4885 |
| US-20090275565-A1 | Substituted aralkyl derivatives | UGT1A7, UGT1A10, UGT2B7 | IKBKB 1392/4885S1PR1 3565/4885APP 1371/4885 |
“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.