Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 8/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.43 |
| ▸ | ABHD6 | Q9BV23 | 4/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL1790256 | 0.88 | ESR1 (0.56) | ESR1ESR2HDAC6ABHD6PKM | |
| SCHEMBL4765646 | 0.85 | ESR1 (0.52) | ESR1ESR2HDAC6ABHD6PKM | |
| SCHEMBL4765641 | 0.85 | ESR1 (0.52) | ESR1ESR2HDAC6ABHD6PKM | |
| SCHEMBL1787936 | 0.82 | ABHD6 (0.60) | ESR1ESR2HDAC6ABHD6PKM | |
| SCHEMBL1787934 | 0.80 | ESR1 (0.53) | ESR1ESR2HDAC6ABHD6PKM | |
| SCHEMBL1787935 | 0.80 | ESR1 (0.53) | ESR1ESR2HDAC6ABHD6PKM | |
| SCHEMBL373697 | 0.80 | ESR2 (0.83) | ESR1ESR2HDAC6ABHD6CA1 | |
| SCHEMBL31173299 | 0.80 | ESR2 (0.68) | ESR1ESR2HDAC6ABHD6PKM | |
| SCHEMBL2334651 | 0.80 | ESR2 (0.68) | ESR1ESR2HDAC6ABHD6PKM | |
| SCHEMBL31173437 | 0.79 | ESR2 (0.67) | ESR1ESR2HDAC6ABHD6PKM |
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 |
|---|---|---|---|---|---|---|---|
| US-20110172204-A1 | COMPOUNDS AND THEIR USE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-07-14 | — | — | US | disclosed |
| US-20110172204-A1 | COMPOUNDS AND THEIR USE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-07-14 | — | — | US | disclosed |
| WO-2011083314-A1 | BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-07-14 | — | — | WO | disclosed |
| WO-2011083315-A1 | COMPOUNDS AND THEIR USE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-07-14 | — | — | WO | disclosed |
| US-20110124626-A1 | BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-05-26 | — | — | US | disclosed |
| US-20110124626-A1 | BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-05-26 | — | — | US | disclosed |
| WO-2010007382-A1 | BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS | TAKEDA PHARMACEUTICAL COMPANY LIMITED. (JP) | 2010-01-21 | — | — | 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 (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-20110124626-A1 | BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS | HRH4, HRH3, HRH2 | ESR1 2324/4885ESR2 1902/4885HDAC6 683/4885 |
| US-20110172204-A1 | COMPOUNDS AND THEIR USE | HRH3, HRH4, HRH2 | ESR1 573/4885ESR2 427/4885HDAC6 886/4885 |
“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.