Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 18/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | SCN1A | P35498 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL7679212 | 0.94 | PIK3CA (0.40) | HRH3CYP3A4CYP2C9CYP1A2SIGMAR1 | |
| SCHEMBL7682275 | 0.93 | PIK3CA (0.39) | HRH3CYP3A4CYP2C9CYP1A2SIGMAR1 | |
| SCHEMBL7679097 | 0.76 | CYP2C19 (0.48) | HRH3CYP3A4ALDH1A1 | |
| SCHEMBL7676521 | 0.76 | P2RY12 (0.40) | HRH3CYP3A4CYP2C9MAPK1ALDH1A1 | |
| SCHEMBL7679170 | 0.71 | CYP2C19 (0.53) | CYP3A4ALDH1A1LMNA | |
| SCHEMBL7675925 | 0.69 | CYP2D6 (0.45) | CYP3A4ALDH1A1 | |
| SCHEMBL7672759 | 0.69 | KDM4E (0.43) | CYP2C9ALDH1A1CYP1A2LMNA | |
| SCHEMBL1599910 | 0.67 | KDM4E (0.45) | CYP2C9MAPK1ALDH1A1CYP1A2LMNA | |
| SCHEMBL1602160 | 0.67 | KDM4E (0.45) | CYP2C9MAPK1ALDH1A1CYP1A2LMNA | |
| SCHEMBL951536 | 0.66 | HRH3 (0.48) | HRH3KCNH2CYP3A4MAPK1ALDH1A1 |
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-6455520-B1 | TUMOR NECROSIS FACTOR AND INTERLEUKIN INHIBITORS; ANTIINFLAMMATORY AGENTS, ANTIALLERGENS; BONE DISORDERS | ASTRA ZENECA AB (SE) | 2002-09-24 | — | — | US | disclosed |