Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.53 |
| ▸ | APP | P05067 | 2/20 | 0.49 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.44 |
| ▸ | NQO1 | P15559 | 1/20 | 0.43 |
| ▸ | NQO2 | P16083 | 1/20 | 0.43 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 2/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.40 |
| ▸ | PRKDC | P78527 | 2/20 | 0.38 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 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 | |
|---|---|---|---|---|
| SCHEMBL20656178 | 0.85 | PDCD1 (0.40) | CYP2A6IKBKB | |
| SCHEMBL4909643 | 0.83 | APP (0.45) | CYP2A6APPHSD17B1HSD17B2NQO1 | |
| SCHEMBL19133572 | 0.81 | APP (0.57) | CYP2A6APPHSD17B1HSD17B2NQO1 | |
| SCHEMBL4049432 | 0.81 | BCL2L1 (0.46) | CYP2A6APPHSD17B1HSD17B2ERN1 | |
| SCHEMBL12854022 | 0.79 | APP (0.55) | CYP2A6APPHSD17B1HSD17B2NQO1 | |
| SCHEMBL27989389 | 0.77 | APP (0.57) | CYP2A6APPHSD17B1HSD17B2NQO1 | |
| SCHEMBL20656011 | 0.77 | GPR35 (0.38) | CYP2A6IKBKB | |
| SCHEMBL7503046 | 0.77 | APP (0.58) | CYP2A6APPHSD17B1HSD17B2NQO1 | |
| SCHEMBL22363255 | 0.77 | APP (0.53) | CYP2A6APPHSD17B1HSD17B2NQO1 | |
| SCHEMBL4868139 | 0.77 | NQO1 (0.54) | CYP2A6APPHSD17B1HSD17B2NQO1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8563786-B2 | Method for producing optically active alcohol | MITSUI CHEMICALS, INC. (JP) | 2013-10-22 | — | — | US | disclosed |
| US-20120088938-A1 | METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2012-04-12 | — | — | US | disclosed |
| EP-2412694-A1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL | Mitsui Chemicals, Inc. (JP) | 2012-02-01 | — | — | EP | disclosed |
| US-20080299041-A1 | HETEROCYCLIC INDENE DERIVATIVES AND THEIR RADIOISOTOPE LABELED COMPOUNDS FOR IMAGING BETA-AMYLOID DEPOSITION | SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) | 2008-12-04 | — | — | US | disclosed |
| US-7271264-B2 | Pentacyclic oxepines and derivatives thereof, compositions and methods | ELI LILLY AND COMPANY (US) | 2007-09-18 | — | — | US | disclosed |
| EP-1551822-B1 | PENTACYCLIC OXEPINES AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | LILLY CO ELI (US) | 2006-12-20 | — | — | EP | disclosed |
| US-20050261277-A1 | Pentacyclic oxepines and derivatives thereof, compositions and methods | ELI LILLY AND COMPANY | 2005-11-24 | — | — | US | disclosed |
| EP-1551822-A2 | PENTACYCLIC OXEPINES AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ELI LILLY AND COMPANY (US) | 2005-07-13 | — | — | EP | disclosed |
| WO-2004009578-A2 | PENTACYCLIC OXEPINES AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ELI LILLY AND COMPANY (US) | 2004-01-29 | — | — | 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-20050261277-A1 | Pentacyclic oxepines and derivatives thereof, compositions and methods | NR5A1, NR3C2, OXER1 | CYP2A6 483/4885APP 4275/4885HSD17B1 149/4885 |
| US-20120088938-A1 | METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL | ADH1A, ADH1C, FHIT | CYP2A6 66/4885APP 4014/4885HSD17B1 277/4885 |
| US-20080299041-A1 | HETEROCYCLIC INDENE DERIVATIVES AND THEIR RADIOISOTOPE LABELED COMPOUNDS FOR IMAGING BETA-AMYLOID DEPOSITION | APP, BACE1, PSEN1 | CYP2A6 3574/4885APP 1/4885HSD17B1 483/4885 |
“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.