Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 7/20 | 0.39 |
| ▸ | HTR1D | P28221 | 5/20 | 0.39 |
| ▸ | HTR1B | P28222 | 5/20 | 0.39 |
| ▸ | HTR2A | P28223 | 5/20 | 0.39 |
| ▸ | HTR2B | P41595 | 2/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR1E | P28566 | 1/20 | 0.39 |
| ▸ | HTR1F | P30939 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | HTR5A | P47898 | 1/20 | 0.39 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.39 |
| ▸ | SPR | P35270 | 3/20 | 0.37 |
| ▸ | MPO | P05164 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8627045 | 0.83 | HTR2C (0.43) | HTR1AHTR1DHTR1BHTR2AHTR2B | |
| SCHEMBL9257254 | 0.77 | HTR1D (0.65) | HTR1AHTR1DHTR1BHTR2AHTR2B | |
| SCHEMBL8978715 | 0.77 | — | — | |
| SCHEMBL9229065 | 0.75 | HTR1D (0.41) | HTR1AHTR1DHTR1BHTR2AMPO | |
| SCHEMBL4358459 | 0.75 | HTR1A (0.58) | HTR1AHTR1DHTR1BHTR2AHTR2B | |
| SCHEMBL3702253 | 0.74 | MPO (0.62) | HTR2AMPOSLC6A4 | |
| SCHEMBL9371057 | 0.73 | SPR (0.59) | HTR1AHTR1DHTR2CSPRLMNA | |
| SCHEMBL4349238 | 0.72 | SPR (0.49) | SPRMPOSLC6A4MTNR1AMTNR1B | |
| SCHEMBL4362228 | 0.71 | SLC6A4 (0.61) | HTR1ASLC6A4 | |
| SCHEMBL5338731 | 0.71 | SLC6A4 (0.55) | HTR1AHTR1DHTR1BHTR2AHTR2B |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0644187-B1 | Antimigraine cyclobutenedione derivatives of tryptamines | BRISTOL MYERS SQUIBB CO (US) | 1998-07-01 | — | — | EP | disclosed |
| 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 |
| EP-0644187-A1 | Antimigraine cyclobutenedione derivatives of tryptamines | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-03-22 | — | — | EP | disclosed |
| US-5382592-A | Antimigraine cyclobutenedione derivatives of tryptamines | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-01-17 | — | — | US | disclosed |