Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ADK | P55263 | 1/20 | 0.31 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | DRD1 | P21728 | 1/20 | 0.30 |
| ▸ | GSK3B | P49841 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | GSK3A | P49840 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17082306 | 0.90 | HTR1A (0.33) | DRD2HTR1AHTR7SMN1; SMN2ADK | |
| SCHEMBL17029431 | 0.86 | MEN1 (0.40) | SMN1; SMN2HTR6MEN1KMT2AATM | |
| SCHEMBL17082248 | 0.83 | ESR1 (0.33) | SMN1; SMN2NPSR1 | |
| SCHEMBL17082262 | 0.83 | ESR1 (0.33) | SMN1; SMN2HTR6 | |
| SCHEMBL17082247 | 0.83 | MEN1 (0.33) | HTR1AHTR7MEN1KMT2AATM | |
| SCHEMBL17952985 | 0.82 | DRD2 (0.34) | DRD2HTR1AHTR7SMN1; SMN2ADK | |
| SCHEMBL19336705 | 0.82 | DRD2 (0.34) | DRD2HTR1AHTR7SMN1; SMN2ADK | |
| SCHEMBL17082249 | 0.81 | ALDH1A1 (0.38) | CYP3A4CYP2C19 | |
| SCHEMBL17082257 | 0.78 | MEN1 (0.34) | MEN1KMT2AATMCYP3A4CYP2C19 | |
| SCHEMBL17082307 | 0.77 | HTR7 (0.34) | HTR1AHTR7SMN1; SMN2SRD5A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2918591-A1 | NOVEL LIGAND COMPOUND, PREPARATION METHOD THEREFOR, TRANSITION METAL COMPOUND, AND PREPARATION METHOD THEREFOR | LG Chem, Ltd. (KR) | 2015-09-16 | — | — | EP | disclosed |