Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 4/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | IDH2 | P48735 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.37 |
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 | 0.84 | TSHR (0.56) | TSHRALDH1A1CYP19A1KDM4EKIF11 | |
| SCHEMBL27993534 | 0.82 | HSP90AA1 (0.50) | TSHRALDH1A1HSP90AA1KDM4EMAPK1 | |
| Trifluoromethylbenzene SCHEMBL28051440 | 0.79 | TSHR (0.67) | TSHRALDH1A1CYP19A1KDM4EKIF11 | |
| Biphenyl SCHEMBL11844992 | 0.76 | HSP90AA1 (0.65) | ALDH1A1HSP90AA1ADORA2AADORA1RAB9A | |
| Trifluoromethylbenzene SCHEMBL28143223 | 0.75 | TSHR (0.88) | TSHRALDH1A1CYP19A1KIF11MAPK1 | |
| Trifluoromethylbenzene SCHEMBL175647 | 0.75 | TSHR (1.00) | TSHRALDH1A1CYP19A1KIF11MAPK1 | |
| Trifluoromethylbenzene SCHEMBL27760126 | 0.75 | TSHR (1.00) | TSHRALDH1A1CYP19A1KIF11MAPK1 | |
| Trifluoromethylbenzene SCHEMBL8692 | 0.75 | TSHR (1.00) | TSHRALDH1A1CYP19A1KIF11MAPK1 | |
| Trifluoromethylbenzene SCHEMBL11580827 | 0.73 | TSHR (0.82) | TSHRALDH1A1CYP19A1KIF11MAPK1 | |
| Trifluoromethylbenzene SCHEMBL10456156 | 0.73 | TSHR (0.82) | TSHRALDH1A1CYP19A1KIF11MAPK1 |
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-105294588-A | Fluorotriazine-containing derivative, and preparation method and use thereof | WUHAN INST TECHNOLOGY | 2016-02-03 | — | — | CN | disclosed |