Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.67 |
| ▸ | TSHR | P16473 | 3/20 | 0.60 |
| ▸ | NAMPT | P43490 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL12628517 | 1.00 | ALDH1A1 (0.67) | ALDH1A1TSHRNAMPTCYP2C19CYP2C9 | |
| SCHEMBL12628516 | 0.94 | TSHR (0.60) | ALDH1A1TSHRNAMPTCYP2C19CYP2C9 | |
| SCHEMBL2014766 | 0.94 | TSHR (0.60) | ALDH1A1TSHRNAMPTCYP2C19CYP2C9 | |
| SCHEMBL12628159 | 0.90 | ALDH1A1 (0.54) | ALDH1A1MEN1KMT2A | |
| SCHEMBL2011504 | 0.90 | ALDH1A1 (0.54) | ALDH1A1MEN1KMT2A | |
| SCHEMBL2012792 | 0.89 | ALDH1A1 (0.55) | ALDH1A1TSHRHTTMEN1KMT2A | |
| SCHEMBL12628514 | 0.89 | ALDH1A1 (0.55) | ALDH1A1TSHRHTTMEN1KMT2A | |
| SCHEMBL12628161 | 0.86 | ALDH1A1 (0.48) | ALDH1A1TSHRNAMPTCYP2C19CYP2C9 | |
| SCHEMBL12628168 | 0.83 | KMT2A (0.52) | ALDH1A1TSHRNAMPTCYP2C19CYP2C9 | |
| SCHEMBL2016260 | 0.83 | KMT2A (0.52) | ALDH1A1TSHRNAMPTCYP2C19CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011073269-A1 | PIPERIDINE ARYL SULFONAMIDE DERIVATIVES AS KV1.3 MODULATORS | EVOTEC AG (DE) | 2011-06-23 | — | — | WO | claimed |