Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 9/20 | 0.41 |
| ▸ | HTR2A | P28223 | 5/20 | 0.41 |
| ▸ | HTR2B | P41595 | 4/20 | 0.39 |
| ▸ | PARP1 | P09874 | 2/20 | 0.37 |
| ▸ | CALCRL | Q16602 | 2/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | TNKS | O95271 | 1/20 | 0.32 |
| ▸ | HTR5A | P47898 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11097882 | 0.99 | HTR2C (0.40) | HTR2CHTR2AHTR2BPARP1CALCRL | |
| Hydrochloric Acid SCHEMBL11160630 | 0.99 | HTR2C (0.40) | HTR2CHTR2AHTR2BPARP1CALCRL | |
| SCHEMBL5369548 | 0.87 | BRD4 (0.33) | CALCRLBRD4CREBBPTNKSHTR5A | |
| SCHEMBL14410233 | 0.82 | PARP1 (0.40) | PARP1CALCRLBRD4CREBBPCTSS | |
| SCHEMBL11102413 | 0.78 | MAPK1 (0.48) | CALCRL | |
| SCHEMBL11102417 | 0.78 | MAPK1 (0.48) | CALCRL | |
| SCHEMBL31184539 | 0.76 | BRD4 (0.50) | HTR2CHTR2AHTR2BPARP1CALCRL | |
| SCHEMBL2100919 | 0.76 | BRD4 (0.50) | HTR2CHTR2AHTR2BPARP1CALCRL | |
| SCHEMBL31184549 | 0.76 | BRD4 (0.50) | HTR2CHTR2AHTR2BPARP1CALCRL | |
| SCHEMBL14417234 | 0.75 | HTR2C (0.43) | HTR2CHTR2AHTR2BPARP1CALCRL |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7230001-B1 | Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2007-06-12 | — | — | US | disclosed |