Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 2/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | TDP2 | O95551 | 1/20 | 0.32 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 3/20 | 0.32 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.31 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL1871454 | 0.81 | GPR3 (0.34) | GPR3HTR7HTR2BHTR2APOLB | |
| SCHEMBL6292515 | 0.81 | GPR3 (0.34) | GPR3HTR7HTR2BHTR2APOLB | |
| SCHEMBL29145678 | 0.81 | HTR2A (0.36) | GPR3HTR2BCYP1A2TSHRCYP2A6 | |
| SCHEMBL31338566 | 0.80 | GPR3 (0.39) | GPR3HTR7HTR2BTSHRHTR2A | |
| SCHEMBL358532 | 0.80 | GPR3 (0.39) | GPR3HTR7HTR2BTSHRHTR2A | |
| SCHEMBL17515010 | 0.79 | HTR2B (0.36) | GPR3HTR7HTR2BCYP1A2TSHR | |
| SCHEMBL14119375 | 0.79 | ALDH1A1 (0.34) | GPR3HTR7HTR2BPBRM1NPC1 | |
| SCHEMBL2130008 | 0.79 | HTR7 (0.35) | GPR3HTR7HTR2BPOLBDRD2 | |
| Methyl Alcohol SCHEMBL14815699 | 0.77 | ALDH1A1 (0.38) | GPR3HTR7HTR2BPOLBPBRM1 | |
| SCHEMBL616348 | 0.76 | PTPRC (0.39) | HTR7CYP1A2TDP1MEN1KMT2A |
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-3252064-A1 | METALLOCENE COMPOUND | LG Chem, Ltd. (KR) | 2017-12-06 | — | — | EP | disclosed |