Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.60 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.60 |
| ▸ | HTR2A | P28223 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | HTR1D | P28221 | 1/20 | 0.48 |
| ▸ | HTR1B | P28222 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | HTR7 | P34969 | 1/20 | 0.48 |
| ▸ | HTR6 | P50406 | 1/20 | 0.48 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.48 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6676239 | 0.77 | ADRA1A (0.49) | TAAR1ADRA1AHTR2ACYP1A2HTR1A | |
| SCHEMBL6676245 | 0.77 | PTGIR (0.49) | TAAR1ADRA1AHTR2ACYP1A2HTR1A | |
| Hydrochloric Acid SCHEMBL6679353 | 0.76 | PTGIR (0.48) | TAAR1ADRA1AHTR2ACYP1A2HTR1A | |
| Hydrochloric Acid SCHEMBL6679352 | 0.76 | ADRA1A (0.48) | TAAR1ADRA1AHTR2ACYP1A2HTR1A | |
| SCHEMBL13804066 | 0.75 | PKM (0.40) | TAAR1ADRA1ACYP1A2MAPTMEN1 | |
| SCHEMBL479514 | 0.75 | TAAR1 (1.00) | TAAR1ADRA1AHTR2ACYP1A2 | |
| SCHEMBL506175 | 0.75 | TAAR1 (0.68) | TAAR1ADRA1AHTR2ACYP1A2HTR1A | |
| SCHEMBL29491077 | 0.75 | TAAR1 (1.00) | TAAR1ADRA1AHTR2ACYP1A2 | |
| SCHEMBL13255038 | 0.75 | TAAR1 (0.68) | TAAR1ADRA1AHTR2ACYP1A2HTR1A | |
| SCHEMBL30709158 | 0.75 | TAAR1 (0.68) | TAAR1ADRA1AHTR2ACYP1A2HTR1A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2065382-A1 | CGRP antagonists | Boehringer Ingelheim Pharma GmbH & Co. KG (DE) | 2009-06-03 | — | — | EP | disclosed |
| EP-2065381-A1 | CGRP antagonists | Boehringer Ingelheim Pharma GmbH & Co. KG (DE) | 2009-06-03 | — | — | EP | disclosed |
| WO-2009065921-A2 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-05-28 | — | — | WO | disclosed |
| WO-2009050235-A1 | CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-23 | — | — | WO | disclosed |
| WO-2009050232-A1 | CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-23 | — | — | WO | disclosed |
| WO-2009034029-A2 | 1-SUBSTITUTED 4-HETEROCYCLYLPIPERIDINES FOR USE AS CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-19 | — | — | WO | disclosed |