Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | IDH1 | O75874 | 5/20 | 0.42 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.42 |
| ▸ | KLK1 | P06870 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 5/20 | 0.41 |
| ▸ | HTR2C | P28335 | 5/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | EIF4E | P06730 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL5044314 | 0.89 | IDH1 (0.46) | NPC1RAB9AMAPTIDH1KLKB1 | |
| SCHEMBL5044987 | 0.88 | HTR2A (0.47) | IDH1HPGDHTR2AHTR2CSLC6A4 | |
| SCHEMBL5039399 | 0.88 | KLKB1 (0.41) | MAPTIDH1KLKB1HPGDHTR2A | |
| SCHEMBL5046011 | 0.86 | HTR2A (0.48) | IDH1HPGDHTR2AHTR2CSLC6A4 | |
| SCHEMBL5049089 | 0.86 | HPGD (0.44) | NPC1RAB9AIDH1KLKB1HPGD | |
| SCHEMBL5044425 | 0.85 | RAB9A (0.43) | NPC1RAB9AMAPTIDH1KLKB1 | |
| SCHEMBL5039867 | 0.85 | EIF4E (0.47) | NPC1RAB9AMAPTEIF4ELMNA | |
| SCHEMBL5048654 | 0.84 | MAPT (0.50) | NPC1RAB9AMAPTIDH1KLKB1 | |
| SCHEMBL5039597 | 0.83 | SREBF2 (0.42) | NPC1RAB9AMAPTIDH1KLKB1 | |
| SCHEMBL5047822 | 0.83 | HTR2A (0.51) | IDH1HPGDHTR2AHTR2CSLC6A4 |
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 4 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 |
| EP-1583762-A1 | PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-10-12 | — | — | EP | disclosed |
| WO-2004060888-A1 | NOVEL CB 1 RECEPTOR INVERSE AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-07-22 | — | — | WO | disclosed |