Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 2/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CCR6 | P51684 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6974690 | 0.92 | TLR9 (0.41) | HTR1DTLR9TLR8TLR7 | |
| SCHEMBL6964366 | 0.90 | HTR1D (0.38) | HTR1DSLC6A4SLC6A2SLC6A3MAPK1 | |
| SCHEMBL6960603 | 0.87 | HTR1D (0.36) | HTR1DSLC6A4SLC6A2SLC6A3TLR9 | |
| SCHEMBL8507358 | 0.84 | HTR1D (0.45) | HTR1DSLC6A4SLC6A2SLC6A3HTR6 | |
| SCHEMBL6976838 | 0.83 | PRKAG1 (0.38) | HTR1DSLC6A4SLC6A2SLC6A3 | |
| SCHEMBL8208352 | 0.83 | HTR1D (0.40) | HTR1DSLC6A4SLC6A2SLC6A3TP53 | |
| SCHEMBL8209090 | 0.81 | SLC6A4 (0.50) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL8209129 | 0.81 | SLC6A4 (0.43) | SLC6A4SLC6A2SLC6A3MAPK1KMT2A | |
| SCHEMBL1697454 | 0.81 | SLC6A4 (0.43) | SLC6A4SLC6A2SLC6A3MEN1MAPT | |
| SCHEMBL9287655 | 0.81 | HTR1D (0.42) | HTR1DSLC6A4SLC6A2SLC6A3CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0944595-B1 | 5-CYCLO INDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS | NPS ALLELIX CORP (CA) | 2003-10-01 | — | — | EP | claimed |
| EP-0944595-B1 | 5-CYCLO INDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS | NPS ALLELIX CORP (CA) | 2003-10-01 | — | — | EP | disclosed |
| US-5998438-A | SEROTONIN RECEPTOR ANTAGONIST; HEADACHE THERAPY | ALLELIX BIOPHARMACEUTICALS, INC. (CA) | 1999-12-07 | — | — | US | disclosed |