Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 12/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | HTR7 | P34969 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8978730 | 0.90 | HTR1A (0.46) | HTR1ASLC6A4HTR7KCNH2ADRA2A | |
| SCHEMBL8978724 | 0.89 | HTR1A (0.45) | HTR1ASLC6A4HTR7KCNH2ADRA2A | |
| SCHEMBL8978733 | 0.88 | HTR1A (0.45) | HTR1ASLC6A4HTR7KCNH2ADRA2A | |
| SCHEMBL8978757 | 0.87 | HTR1A (0.46) | HTR1ASLC6A4HTR7KCNH2ADRA2A | |
| SCHEMBL4353460 | 0.87 | HTR1A (0.54) | HTR1ASLC6A4HTR7KCNH2ADRA2A | |
| SCHEMBL9373347 | 0.84 | HTR1A (0.69) | HTR1AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL4349219 | 0.84 | HTR1A (0.49) | HTR1ASLC6A4HTR7KCNH2ADRA2A | |
| SCHEMBL4347602 | 0.83 | HTR1A (0.54) | HTR1ASLC6A4HTR7KCNH2ADRA2A | |
| SCHEMBL4357142 | 0.83 | HTR1A (0.68) | HTR1ASLC6A4HTR7KCNH2 | |
| SCHEMBL6354737 | 0.83 | HTR1A (0.66) | HTR1ASLC6A4HTR7KCNH2ADRA2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5521188-A | Antimigraine cyclobutenedione derivatives of indolylalkyl-pyridinyl and pyrimidinylpiperazines | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-05-28 | — | — | US | claimed |
| EP-0645385-A1 | Antimigraine cyclobutenedione derivatives of indolylalkyl-pyridinyl and pyrimidinylpiperazines | Bristol-Myers Squibb Company (US) | 1995-03-29 | — | — | EP | claimed |
| US-5521188-A | Antimigraine cyclobutenedione derivatives of indolylalkyl-pyridinyl and pyrimidinylpiperazines | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-05-28 | — | — | US | disclosed |
| EP-0645385-A1 | Antimigraine cyclobutenedione derivatives of indolylalkyl-pyridinyl and pyrimidinylpiperazines | Bristol-Myers Squibb Company (US) | 1995-03-29 | — | — | EP | disclosed |