Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18299898 | 0.83 | KIF11 (0.35) | HSD17B10KIF11ESR1S1PR1BACE1 | |
| SCHEMBL633855 | 0.79 | AHR (0.42) | CYP2A6ESR1BACE1 | |
| SCHEMBL18299986 | 0.75 | KIF11 (0.38) | HSD17B10KIF11ESR1S1PR1KDM4E | |
| SCHEMBL16629544 | 0.75 | TNF (0.40) | HSD17B10KIF11ESR1S1PR1 | |
| SCHEMBL31078633 | 0.74 | KIF11 (0.37) | HSD17B10KIF11ESR1S1PR1BACE1 | |
| SCHEMBL2431133 | 0.74 | S1PR1 (0.38) | CYP2A6HSD17B10KIF11ESR1S1PR1 | |
| SCHEMBL30993119 | 0.74 | CYP2A6 (0.41) | CYP2A6BACE1PIM1PIM3 | |
| SCHEMBL4886068 | 0.74 | ERN1 (0.44) | CYP2A6BACE1 | |
| SCHEMBL18299868 | 0.74 | AHR (0.46) | HSD17B10KIF11S1PR1KDM4ESMN1; SMN2 | |
| SCHEMBL2264767 | 0.74 | ERN1 (0.44) | CYP2A6BACE1PIM3KDM4ESMN1; SMN2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8026257-B2 | Substituted heterocyclic ethers and their use in CNS disorders | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-09-27 | — | — | US | disclosed |
| US-8026257-B2 | Substituted heterocyclic ethers and their use in CNS disorders | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-09-27 | — | — | US | disclosed |
| US-8026257-B2 | Substituted heterocyclic ethers and their use in CNS disorders | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-09-27 | — | — | US | disclosed |
| US-20090018132-A1 | Substituted Heterocyclic Ethers and Their Use in CNS Disorders | BRISTOL-MYERS SQUIBB COMPANY | 2009-01-15 | — | — | US | disclosed |
| US-20090018132-A1 | Substituted Heterocyclic Ethers and Their Use in CNS Disorders | BRISTOL-MYERS SQUIBB COMPANY | 2009-01-15 | — | — | US | disclosed |
| US-20090018132-A1 | Substituted Heterocyclic Ethers and Their Use in CNS Disorders | BRISTOL-MYERS SQUIBB COMPANY | 2009-01-15 | — | — | US | disclosed |
| WO-2009009411-A1 | SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-01-15 | — | — | WO | disclosed |
| WO-2009009411-A1 | SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-01-15 | — | — | 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 (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-20090018132-A1 | Substituted Heterocyclic Ethers and Their Use in CNS Disorders | CNR1, CNR2, PMP22 | CYP2A6 40/4885HSD17B10 748/4885KIF11 2343/4885 |
“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.