Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 13/20 | 0.63 |
| ▸ | HTR2C | P28335 | 8/20 | 0.63 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
| ▸ | HTR1D | P28221 | 2/20 | 0.36 |
| ▸ | HTR1B | P28222 | 2/20 | 0.36 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.36 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8868429 | 0.80 | GABRA1 (0.48) | TACR1 | |
| Oxalic Acid SCHEMBL8900028 | 0.79 | HTR1A (0.88) | HTR1AHTR2CHTR1DHTR1B | |
| SCHEMBL8783632 | 0.78 | HTR1A (1.00) | HTR1AHTR2CHTR1DHTR1B | |
| SCHEMBL8811021 | 0.77 | HTR1A (0.62) | HTR1AHTR2CTACR1HTR1DHTR1B | |
| SCHEMBL8784127 | 0.76 | HTR1A (0.76) | HTR1AHTR2CHTR1DHTR1B | |
| SCHEMBL8786018 | 0.75 | HTR1A (0.46) | HTR1AHTR2C | |
| Water SCHEMBL8809850 | 0.74 | HTR1A (0.61) | HTR1AHTR2CHTR1DHTR1B | |
| SCHEMBL8784080 | 0.73 | HTR1A (0.60) | HTR1AHTR2CHTR1DHTR1B | |
| SCHEMBL8870342 | 0.70 | SCN9A (0.46) | HTR1AHTR2CTACR1HTR1DHTR1B | |
| SCHEMBL8869627 | 0.70 | HTR2B (0.51) | HTR1AHTR2CHTR1DHTR1B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5602162-A | TREATMENT AND/OR PREVENTION OF MIGRAINE | MERCK, SHARP & DOHME LTD. (GB) | 1997-02-11 | — | — | US | disclosed |
| US-5451588-A | Treatment of migraines | MERCK SHARP & DOHME LTD. (GB) | 1995-09-19 | — | — | US | disclosed |
| US-5298520-A | Triazole containing indole derivatives | MERCK SHARP & DOHME LIMITED (GB) | 1994-03-29 | — | — | US | disclosed |