Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 6/20 | 0.68 |
| ▸ | ESR1 | P03372 | 5/20 | 0.68 |
| ▸ | ABHD6 | Q9BV23 | 4/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | BTK | Q06187 | 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 | |
|---|---|---|---|---|
| SCHEMBL31173299 | 1.00 | ESR2 (0.68) | ESR2ESR1ABHD6HDAC6HDAC8 | |
| SCHEMBL1790256 | 0.92 | ESR1 (0.56) | ESR2ESR1ABHD6HDAC6HDAC8 | |
| SCHEMBL31173437 | 0.88 | ESR2 (0.67) | ESR2ESR1ABHD6HDAC6HDAC8 | |
| SCHEMBL16634768 | 0.82 | ESR2 (0.44) | ESR2ESR1ABHD6HDAC6HDAC8 | |
| SCHEMBL16230824 | 0.81 | ESR1 (0.58) | ESR2ESR1NPC1RAB9AMEN1 | |
| SCHEMBL15652274 | 0.81 | NOTUM (0.59) | ESR2ESR1HDAC6HDAC8NPC1 | |
| SCHEMBL8176145 | 0.81 | ESR2 (1.00) | ESR2ESR1ABHD6HDAC6HDAC8 | |
| SCHEMBL25206226 | 0.80 | ESR2 (0.76) | ESR2ESR1ABHD6HDAC6HDAC8 | |
| SCHEMBL4179872 | 0.80 | ESR2 (0.72) | ESR2ESR1ABHD6HDAC6HDAC8 | |
| SCHEMBL419896 | 0.80 | ESR2 (0.72) | ESR2ESR1ABHD6HDAC6HDAC8 |
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-8492559-B2 | Substituted indole compounds | GRUENENTHAL GMBH (DE) | 2013-07-23 | — | — | US | disclosed |
| EP-2356101-B1 | PYRIMIDINE- AND TRIAZINE-SULFONAMIDE DERIVATIVES AS BRADYKININ B1 RECEPTOR (B1R) INHIBITORS FOR THE TREATMENT OF PAIN | GRUENENTHAL GMBH (DE) | 2013-02-27 | — | — | EP | disclosed |
| US-8269000-B2 | Substituted pyrimidine and triazine compounds | GRUENENTHAL GMBH (DE) | 2012-09-18 | — | — | US | disclosed |
| EP-2393803-A1 | SUBSTITUTED INDOLE COMPOUNDS AS BRADYKININ RECEPTOR 1 MODULATORS | Grünenthal GmbH (DE) | 2011-12-14 | — | — | EP | disclosed |
| EP-2356101-A1 | PYRIMIDINE AND TRIAZINE SULFONAMIDE DERIVATES AS B1 BRADYKININ RECEPTOR (B1R) INHIBITORS FOR TREATING PAIN | Grünenthal GmbH (DE) | 2011-08-17 | — | — | EP | disclosed |
| US-20100222324-A1 | Substituted Indole Compounds | GRUENENTHAL GMBH (DE) | 2010-09-02 | — | — | US | disclosed |
| WO-2010089084-A1 | SUBSTITUTED INDOLE COMPOUNDS AS BRADYKININ RECEPTOR 1 MODULATORS | Grünenthal GmbH (DE) | 2010-08-12 | — | — | WO | disclosed |
| US-20100173889-A1 | Substituted Pyrimidine and Triazine Compounds | GRUENENTHAL GMBH (DE) | 2010-07-08 | — | — | US | disclosed |
| WO-2010046109-A1 | PYRIMIDINE AND TRIAZINE SULFONAMIDE DERIVATES AS B1 BRADYKININ RECEPTOR (B1R) INHIBITORS FOR TREATING PAIN | Grünenthal GmbH (DE) | 2010-04-29 | — | — | 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 (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-20100222324-A1 | Substituted Indole Compounds | BDKRB1, BDKRB2, EDNRB | ESR2 1590/4885ESR1 1504/4885ABHD6 3524/4885 |
| US-20100173889-A1 | Substituted Pyrimidine and Triazine Compounds | ADORA2B, CCNB1, TYMS | ESR2 2631/4885ESR1 2373/4885ABHD6 4199/4885 |
“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.