Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 5/20 | 0.40 |
| ▸ | CTSK | P43235 | 4/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.32 |
| ▸ | FEN1 | P39748 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | QPCT | Q16769 | 1/20 | 0.30 |
| ▸ | EIF4EBP1 | Q13541 | 1/20 | 0.30 |
| ▸ | BRAF | P15056 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.30 |
| ▸ | CDC7 | O00311 | 1/20 | 0.30 |
| ▸ | DBF4 | Q9UBU7 | 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 | |
|---|---|---|---|---|
| SCHEMBL29560609 | 0.79 | PARP1 (0.51) | PARP1CTSSCTSKALDH1A1EIF4EBP1 | |
| SCHEMBL16129491 | 0.76 | PARP1 (0.46) | PARP1CTSSCTSKS1PR1MAPT | |
| SCHEMBL2298425 | 0.75 | PARP1 (0.45) | PARP1CTSSCTSKS1PR1MAPT | |
| SCHEMBL22361949 | 0.75 | PARP1 (0.45) | PARP1S1PR1MAPTALDH1A1KDM4E | |
| SCHEMBL11565241 | 0.75 | PARP1 (0.45) | PARP1CTSSCTSKS1PR1MAPT | |
| SCHEMBL19627519 | 0.75 | PARP1 (0.38) | PARP1MAPTALDH1A1KMT2AKDM4E | |
| SCHEMBL13759405 | 0.71 | PARP1 (0.45) | PARP1CTSSCTSKS1PR1ALOX5AP | |
| SCHEMBL13759404 | 0.71 | PARP1 (0.42) | PARP1CTSSCTSKS1PR1MAPT | |
| SCHEMBL15093877 | 0.70 | PARP1 (0.44) | PARP1S1PR1MAPTMEN1ALDH1A1 | |
| SCHEMBL28072862 | 0.70 | IP6K1 (0.55) | PARP1CTSSCTSK |
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 | PARP1 4212/4885CTSS 2957/4885CTSK 3689/4885 |
“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.