Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 1/20 | 0.64 |
| ▸ | HTR2C | P28335 | 2/20 | 0.46 |
| ▸ | HTR2B | P41595 | 2/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23266142 | 0.88 | ALDH1A1 (0.47) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL10740501 | 0.84 | CYP3A4 (0.48) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL31314627 | 0.83 | CYP2C9 (0.45) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL30780883 | 0.81 | FFAR1 (0.47) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL6814216 | 0.81 | FFAR1 (0.47) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL30780882 | 0.81 | FFAR1 (0.47) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL7705813 | 0.81 | FFAR1 (0.55) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL9673132 | 0.79 | MAPT (0.57) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL12849677 | 0.78 | CYP3A4 (1.00) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL13520595 | 0.78 | CYP3A4 (0.65) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E |
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-7642391-B1 | Palladium-catalyzed coupling of aryl halides with alkynes | IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) | 2010-01-05 | — | — | US | disclosed |