Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.67 |
| ▸ | KIF11 | P52732 | 2/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.43 |
| ▸ | IDH2 | P48735 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | HEXA | P06865 | 1/20 | 0.42 |
| ▸ | HEXB | P07686 | 1/20 | 0.42 |
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 SCHEMBL28037899 | 0.87 | TSHR (0.56) | TSHRALDH1A1KIF11ADORA2AADORA1 | |
| Trifluoromethylbenzene SCHEMBL28815330 | 0.86 | ALDH1A1 (0.54) | TSHRALDH1A1KIF11ADORA2AADORA1 | |
| Trifluoromethylbenzene SCHEMBL28143223 | 0.82 | TSHR (0.88) | TSHRALDH1A1KIF11MAPK1CYP19A1 | |
| Trifluoromethylbenzene SCHEMBL27760126 | 0.82 | TSHR (1.00) | TSHRALDH1A1KIF11MAPK1CYP19A1 | |
| Trifluoromethylbenzene SCHEMBL175647 | 0.82 | TSHR (1.00) | TSHRALDH1A1KIF11MAPK1CYP19A1 | |
| Trifluoromethylbenzene SCHEMBL8692 | 0.82 | TSHR (1.00) | TSHRALDH1A1KIF11MAPK1CYP19A1 | |
| Trifluoromethylbenzene SCHEMBL28052640 | 0.79 | TSHR (0.82) | TSHRALDH1A1KIF11MAPK1CYP19A1 | |
| Trifluoromethylbenzene SCHEMBL11580827 | 0.79 | TSHR (0.82) | TSHRALDH1A1KIF11MAPK1CYP19A1 | |
| Trifluoromethylbenzene SCHEMBL1830622 | 0.79 | TSHR (0.93) | TSHRALDH1A1KIF11MAPK1CYP19A1 | |
| Trifluoromethylbenzene SCHEMBL9482280 | 0.79 | TSHR (0.93) | TSHRALDH1A1KIF11MAPK1CYP19A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105294588-A | Fluorotriazine-containing derivative, and preparation method and use thereof | WUHAN INST TECHNOLOGY | 2016-02-03 | — | — | CN | claimed |
| CN-105294588-A | Fluorotriazine-containing derivative, and preparation method and use thereof | WUHAN INST TECHNOLOGY | 2016-02-03 | — | — | CN | disclosed |