Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ABHD6 | Q9BV23 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1792810 | 0.99 | ESR1 (0.53) | ESR1ESR2HDAC6PKMABHD6 | |
| SCHEMBL5328689 | 0.86 | ESR1 (0.55) | ESR1ESR2HDAC6PKMABHD6 | |
| SCHEMBL1364723 | 0.83 | ESR1 (0.52) | ESR1ESR2HDAC6PKMABHD6 | |
| SCHEMBL1367276 | 0.83 | ESR1 (0.52) | ESR1ESR2HDAC6PKMABHD6 | |
| SCHEMBL2364766 | 0.83 | ESR2 (0.52) | ESR1ESR2HDAC6PKMABHD6 | |
| SCHEMBL3284914 | 0.82 | ESR1 (0.51) | ESR1ESR2HDAC6PKMABHD6 | |
| SCHEMBL1789769 | 0.81 | ESR1 (0.50) | ESR1ESR2HDAC6PKMMEN1 | |
| SCHEMBL373718 | 0.81 | ESR1 (0.58) | ESR1ESR2HDAC6PKMABHD6 | |
| SCHEMBL12387505 | 0.81 | ESR1 (0.52) | ESR1ESR2HDAC6PKMABHD6 | |
| Hydrochloric Acid SCHEMBL2315162 | 0.80 | ESR1 (0.51) | ESR1ESR2HDAC6PKMABHD6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011083316-A1 | BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-07-14 | — | — | WO | disclosed |
| WO-2011083316-A1 | BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-07-14 | — | — | WO | disclosed |
| 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-2011083315-A1 | COMPOUNDS AND THEIR USE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-07-14 | — | — | WO | disclosed |
| WO-2011083314-A1 | BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | 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.