Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Trifluoromethylbenzene SCHEMBL28122230 | 0.98 | TSHR (0.52) | TSHRALDH1A1KIF11PTGDR2LTA4H | |
| Trifluoromethylbenzene SCHEMBL28075986 | 0.92 | TSHR (0.54) | TSHRALDH1A1KIF11PTGDR2LTA4H | |
| Trifluoromethylbenzene SCHEMBL28057959 | 0.88 | TSHR (0.64) | TSHRALDH1A1KIF11SMN1; SMN2CYP1A2 | |
| Trifluoromethylbenzene SCHEMBL28195950 | 0.86 | TSHR (0.67) | TSHRALDH1A1KIF11PTGDR2SMN1; SMN2 | |
| SCHEMBL8606765 | 0.83 | TSHR (0.48) | TSHRALDH1A1LTA4HTDP1ADORA3 | |
| SCHEMBL6552422 | 0.83 | TSHR (0.48) | TSHRALDH1A1LTA4HTDP1ADORA3 | |
| Tert-Butylbenzene SCHEMBL27715546 | 0.82 | TSHR (0.46) | TSHRALDH1A1LTA4HTDP1HDAC3 | |
| SCHEMBL27912054 | 0.81 | HDAC3 (0.42) | TSHRALDH1A1LMNAHDAC3HDAC1 | |
| Trifluoromethylbenzene SCHEMBL6391221 | 0.81 | TSHR (0.54) | TSHRALDH1A1KIF11SMN1; SMN2CYP1A2 | |
| Tetrabuthylammonium SCHEMBL28169984 | 0.81 | TSHR (0.54) | TSHRALDH1A1KIF11SMN1; SMN2CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103228633-A | Heterocyclic compounds as DGAT1 inhibitors | PIRAMAL LIFE SCIENCES LTD | 2013-07-31 | — | — | CN | disclosed |