Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 2/20 | 0.45 |
| ▸ | THRA | P10827 | 9/20 | 0.43 |
| ▸ | THRB | P10828 | 9/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TACR1 | P25103 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8868878 | 0.91 | MTNR1A (0.50) | SCN9ATHRATHRBMTNR1AMTNR1B | |
| SCHEMBL8869461 | 0.85 | SCN9A (0.44) | SCN9ATHRATHRBMTNR1AMTNR1B | |
| SCHEMBL25553501 | 0.81 | MAPT (0.44) | SCN9ATHRATHRBMTNR1AMTNR1B | |
| SCHEMBL8870222 | 0.79 | MTNR1A (0.43) | SCN9ATHRATHRBMTNR1AMTNR1B | |
| SCHEMBL8883939 | 0.77 | TACR1 (0.41) | THRATHRBMTNR1AMTNR1BMAPT | |
| SCHEMBL8869773 | 0.77 | LTA4H (0.59) | MTNR1AMTNR1BMAPTTP53 | |
| SCHEMBL9211145 | 0.75 | HTR2B (0.50) | THRATHRBMTNR1AMTNR1BMAPT | |
| SCHEMBL9213440 | 0.73 | HTR2A (0.45) | THRATHRBMTNR1AMTNR1BMAPT | |
| SCHEMBL24208355 | 0.72 | SCN9A (0.49) | SCN9AMAPTSMN1; SMN2 | |
| SCHEMBL30391992 | 0.72 | SCN9A (0.49) | SCN9AMAPTSMN1; SMN2 |
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-5637593-A | MIGRAINE; HYPOTENSIVE AGENTS | SMITHKLINE BEECHAM PLC (GB) | 1997-06-10 | — | — | US | disclosed |
| EP-0674619-A1 | TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-10-04 | — | — | EP | disclosed |
| WO-1994014770-A1 | TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-07-07 | — | — | WO | disclosed |