Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 3/20 | 0.35 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | HTR1D | P28221 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 3/20 | 0.33 |
| ▸ | NOS1 | P29475 | 3/20 | 0.33 |
| ▸ | NOS2 | P35228 | 3/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL6994311 | 0.76 | ERN1 (0.43) | HTR6HTR1AHTR1DHTR1BNOS3 | |
| SCHEMBL6994397 | 0.72 | BLM (0.39) | NOS3NOS1KDM4ELMNAPOLB | |
| SCHEMBL7718815 | 0.70 | HTR1D (0.46) | HTR6HTR1AHTR1DHTR1BNOS3 | |
| SCHEMBL11874262 | 0.70 | HTR6 (0.55) | HTR6HTR1AKDM4ELMNAPOLB | |
| SCHEMBL8658544 | 0.68 | NOS3 (0.38) | HTR1AHTR1DHTR1BNOS3NOS1 | |
| SCHEMBL7000439 | 0.68 | SLC6A4 (0.42) | HTR6HTR1AKDM4ELMNAPOLB | |
| Oxalic Acid SCHEMBL7867378 | 0.67 | SLC6A4 (0.52) | HTR6SLC6A4 | |
| Bromide SCHEMBL7870832 | 0.65 | SLC6A4 (0.57) | HTR6HTR1AKDM4ELMNAPOLB | |
| SCHEMBL6996625 | 0.64 | SLC6A4 (0.62) | HTR6HTR1AKDM4ELMNAPOLB | |
| SCHEMBL8172220 | 0.62 | QDPR (0.62) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1003738-A1 | BICYCLIC COMPOUNDS AS LIGANDS FOR 5-HT1 RECEPTORS | SMITHKLINE BEECHAM PLC (GB) | 2000-05-31 | — | — | EP | disclosed |
| WO-1999007700-A1 | BICYCLIC COMPOUNDS AS LIGANDS FOR 5-HT1 RECEPTORS | SMITHKLINE BEECHAM PLC (GB) | 1999-02-18 | — | — | WO | disclosed |