Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 6/20 | 0.44 |
| ▸ | HTR2C | P28335 | 6/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.44 |
| ▸ | SMYD2 | Q9NRG4 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 4/20 | 0.38 |
| ▸ | FAAH | O00519 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.38 |
| ▸ | MERTK | Q12866 | 1/20 | 0.38 |
| ▸ | GAS6 | Q14393 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.37 |
| ▸ | KLK1 | P06870 | 2/20 | 0.37 |
| ▸ | IDH1 | O75874 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5044961 | 0.90 | HTR2A (0.46) | HTR2AHTR2CSLC6A4SMYD2KLKB1 | |
| SCHEMBL5047822 | 0.89 | HTR2A (0.51) | HTR2AHTR2CSLC6A4CNR2IDH1 | |
| SCHEMBL5044423 | 0.89 | MAPT (0.44) | HTR2AHTR2CSLC6A4RAB9ASMN1; SMN2 | |
| SCHEMBL3919666 | 0.88 | HTR2A (0.51) | HTR2AHTR2CSLC6A4SMYD2CNR2 | |
| SCHEMBL5043875 | 0.87 | ALDH1A1 (0.47) | HTR2AHTR2CSLC6A4NPC1RAB9A | |
| SCHEMBL5044355 | 0.87 | KLKB1 (0.48) | HTR2AHTR2CSLC6A4NPC1RAB9A | |
| SCHEMBL6879341 | 0.86 | EIF4E (0.45) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5040235 | 0.86 | HTR2A (0.42) | HTR2AHTR2CSLC6A4NPC1RAB9A | |
| SCHEMBL5044023 | 0.85 | HTR2A (0.44) | HTR2AHTR2CSLC6A4CNR2FAAH | |
| SCHEMBL5046013 | 0.85 | HTR2A (0.45) | HTR2AHTR2CSLC6A4KLKB1KLK1 |
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-1583762-B1 | PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS | HOFFMANN LA ROCHE (CH) | 2008-07-09 | — | — | EP | disclosed |
| US-7135488-B2 | Pyrrolyl-thiazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2006-11-14 | — | — | US | disclosed |