Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 10/20 | 0.79 |
| ▸ | HTR1E | P28566 | 2/20 | 0.75 |
| ▸ | HTR1A | P08908 | 1/20 | 0.75 |
| ▸ | NOS3 | P29474 | 4/20 | 0.49 |
| ▸ | NOS1 | P29475 | 4/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8990439 | 0.91 | HTR1D (0.82) | HTR1DHTR1EHTR1ANOS3NOS1 | |
| SCHEMBL9166018 | 0.89 | HTR1D (0.83) | HTR1DHTR1EHTR1ANOS3NOS1 | |
| SCHEMBL9228535 | 0.83 | HTR1D (0.74) | HTR1DHTR1EHTR1ANOS3NOS1 | |
| SCHEMBL9163088 | 0.82 | HTR1D (0.77) | HTR1DHTR1EHTR1ANOS3NOS1 | |
| SCHEMBL9164512 | 0.82 | HTR1D (0.79) | HTR1DHTR1EHTR1ANOS3NOS1 | |
| SCHEMBL8990494 | 0.82 | HTR1D (0.75) | HTR1DHTR1EHTR1ANOS3NOS1 | |
| SCHEMBL8990483 | 0.81 | HTR1D (0.67) | HTR1DHTR1EHTR1ANOS3NOS1 | |
| SCHEMBL9130983 | 0.81 | SLC6A4 (0.60) | HTR1DHTR1EHTR1ASLC6A2 | |
| SCHEMBL9163046 | 0.80 | HTR1D (0.73) | HTR1DHTR1EHTR1ANOS3NOS1 | |
| SCHEMBL9253801 | 0.80 | HTR1D (0.65) | HTR1DHTR1EHTR1ANOS3NOS1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5468768-A | FOR TREATING VASCULAR HEADACHES | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-11-21 | — | — | US | claimed |
| EP-0666258-A1 | Indolylcycloaklanylamin- und Indolylcycloalkenylamine derivatives, their preparation and their use as anti-migraine agents | Bristol-Myers Squibb Company (US) | 1995-08-09 | — | — | EP | claimed |