Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 8/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 5/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1680562 | 0.78 | ALDH1A1 (0.42) | TSHRALDH1A1HSD17B10LMNASMN1; SMN2 | |
| SCHEMBL30915437 | 0.78 | ALDH1A1 (0.42) | TSHRALDH1A1HSD17B10LMNASMN1; SMN2 | |
| SCHEMBL3869264 | 0.71 | ATM (0.47) | TSHRALDH1A1HSD17B10CYP1A2CYP2C19 | |
| SCHEMBL16859573 | 0.70 | TSHR (0.74) | TSHRL3MBTL1TDP1MAPK1CYP3A4 | |
| SCHEMBL11527051 | 0.70 | HRH3 (0.64) | TSHRL3MBTL1TDP1MAPK1CYP3A4 | |
| SCHEMBL4629883 | 0.69 | TSHR (0.54) | TSHRL3MBTL1TDP1MAPK1CYP3A4 | |
| Dibutyl Phthalate SCHEMBL4596231 | 0.69 | TSHR (1.00) | TSHRL3MBTL1TDP1MAPK1CYP3A4 | |
| Dibutyl Phthalate SCHEMBL29353340 | 0.69 | TSHR (1.00) | TSHRL3MBTL1TDP1MAPK1CYP3A4 | |
| Dibutyl Phthalate SCHEMBL2330224 | 0.69 | TSHR (1.00) | TSHRL3MBTL1TDP1MAPK1CYP3A4 | |
| Dibutyl Phthalate SCHEMBL24051 | 0.69 | TSHR (1.00) | TSHRL3MBTL1TDP1MAPK1CYP3A4 |
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-2215054-B8 | AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME | EVOTEC AG (DE) | 2012-02-08 | — | — | EP | disclosed |