Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 8/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.40 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8618607 | 0.89 | KDM4E (0.44) | TSHRL3MBTL1ALDH1A1SMN1; SMN2CFTR | |
| SCHEMBL5841795 | 0.88 | TSHR (0.49) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| SCHEMBL953081 | 0.81 | PTGDR2 (0.55) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| SCHEMBL12522273 | 0.81 | TSHR (0.53) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| SCHEMBL8608729 | 0.80 | KDM4E (0.50) | TP53ALDH1A1HSD17B10CYP2C19CFTR | |
| SCHEMBL8619521 | 0.80 | ESR1 (0.52) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| SCHEMBL18670053 | 0.78 | KDM4E (0.46) | TSHRL3MBTL1ALDH1A1SMN1; SMN2PTGDR2 | |
| SCHEMBL5841261 | 0.78 | TSHR (0.49) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| SCHEMBL5841258 | 0.77 | TSHR (0.48) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| SCHEMBL28836075 | 0.76 | TSHR (0.55) | TSHRTDP1L3MBTL1MAPK1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5744021-A | 2-alkylmercapto-4-(trifluoromethyl)benzoic esters and a process for their preparation | HOECHST AG (DE) | 1998-04-28 | — | — | US | disclosed |