Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 4/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 4/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5184997 | 0.77 | KCNN4 (0.52) | KCNN4TSHRALDH1A1TAAR1CYP1A2 | |
| SCHEMBL4690524 | 0.77 | KCNN4 (0.52) | KCNN4TSHRALDH1A1TAAR1CYP1A2 | |
| SCHEMBL4177593 | 0.77 | KCNN4 (0.52) | KCNN4TSHRALDH1A1TAAR1CYP1A2 | |
| SCHEMBL15366 | 0.76 | KCNN4 (0.69) | KCNN4TSHRALDH1A1TAAR1CYP1A2 | |
| SCHEMBL1244641 | 0.75 | KCNN4 (0.50) | KCNN4TSHRALDH1A1TAAR1MAPK1 | |
| SCHEMBL3173030 | 0.73 | KCNN4 (0.47) | KCNN4TSHRALDH1A1TAAR1CYP1A2 | |
| SCHEMBL127186 | 0.73 | KCNN4 (0.47) | KCNN4TSHRALDH1A1TAAR1CYP1A2 | |
| SCHEMBL843026 | 0.73 | KCNN4 (0.65) | KCNN4TSHRALDH1A1TAAR1CYP1A2 | |
| Methane SCHEMBL20815707 | 0.73 | KCNN4 (0.65) | KCNN4TSHRALDH1A1TAAR1CYP1A2 | |
| Triphenylmethanamine SCHEMBL115149 | 0.73 | KCNN4 (1.00) | KCNN4TSHRALDH1A1TAAR1CYP1A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1189891-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-03-27 | — | — | EP | claimed |
| WO-2001000594-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-01-04 | — | — | WO | claimed |
| CN-1882546-A | Pyridin-4-ylamine compounds useful in the treatment of neuropathic pain | MERCK & CO INC (US) | 2006-12-20 | — | — | CN | disclosed |
| WO-2003082777-A2 | NOVEL GLUCOCORTICOID RECEPTOR LIGANDS | KARO BIO AB (SE) | 2003-10-09 | — | — | WO | disclosed |
| EP-0001989-A1 | Substituted mercapto acid amides, process for their preparation, pharmaceutical composition containing same and their use | MERCK & CO. INC. (US) | 1979-05-30 | — | — | EP | disclosed |