Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRB1 | P17538 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MDM2 | Q00987 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11329173 | 0.89 | CTRB1 (0.49) | CTRB1TP53MAPTLMNANPSR1 | |
| SCHEMBL6781180 | 0.81 | CYP19A1 (0.46) | CTRB1SLC6A3ALDH1A1SLC6A2 | |
| SCHEMBL26448018 | 0.81 | SIRT2 (0.46) | CTRB1MAPTLMNANPSR1ALDH1A1 | |
| SCHEMBL9541605 | 0.80 | CTRB1 (0.44) | CTRB1TP53MAPTLMNASLC6A3 | |
| SCHEMBL192372 | 0.80 | CTRB1 (0.63) | CTRB1TP53MAPTLMNAGAA | |
| SCHEMBL7815009 | 0.79 | SLC6A2 (0.41) | CTRB1TP53MAPTLMNASLC6A3 | |
| SCHEMBL9435442 | 0.77 | CTRB1 (0.50) | CTRB1TP53MAPTLMNANPSR1 | |
| SCHEMBL28730826 | 0.74 | MDM2 (0.43) | TP53MAPTMDM2SLC6A3ALDH1A1 | |
| SCHEMBL28730828 | 0.74 | MDM2 (0.43) | TP53MAPTMDM2SLC6A3ALDH1A1 | |
| SCHEMBL29576656 | 0.74 | MDM2 (0.43) | TP53MAPTMDM2SLC6A3ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2349999-A1 | ALLOSTERIC PROTEIN KINASE MODULATORS | Universität des Saarlandes (DE) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010043711-A1 | ALLOSTERIC PROTEIN KINASE MODULATORS | UNIVERSITAET DES SAARLANDES (DE) | 2010-04-22 | — | — | WO | disclosed |
| WO-1998002432-A1 | BICYCLIC COMPOUNDS FOR CONTROLLING MICTURITION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-01-22 | — | — | WO | disclosed |