Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | BCL6 | P41182 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | IDH2 | P48735 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 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 | |
|---|---|---|---|---|
| Trifluoromethylbenzene SCHEMBL28051488 | 0.84 | KDM4E (0.54) | KDM4EBCL6HTTALDH1A1TSHR | |
| Trifluoromethylbenzene SCHEMBL28037899 | 0.84 | TSHR (0.56) | KDM4EBCL6IDH2ALDH1A1TSHR | |
| Aniline SCHEMBL28021664 | 0.82 | BCL6 (0.59) | KDM4EBCL6HTTTSHRSMN1; SMN2 | |
| SCHEMBL6987146 | 0.80 | — | — | |
| Trifluoromethylbenzene SCHEMBL27916783 | 0.79 | LMNA (0.50) | KDM4EIDH2ALDH1A1TSHRLMNA | |
| Chlorazanil SCHEMBL28051331 | 0.78 | KDR (0.72) | KDM4EBCL6HTTIDH2ALDH1A1 | |
| Trifluoromethylbenzene SCHEMBL28051329 | 0.78 | LMNA (0.61) | KDM4EBCL6HTTTSHRSMN1; SMN2 | |
| Trifluoromethylbenzene SCHEMBL28051483 | 0.77 | IDH2 (0.44) | IDH2ALDH1A1TSHRRAB9AL3MBTL1 | |
| Trifluoromethylbenzene SCHEMBL27850302 | 0.76 | KDM4E (0.48) | KDM4EBCL6ALDH1A1TSHRADORA2A | |
| SCHEMBL28482079 | 0.75 | BCL6 (0.54) | KDM4EBCL6HTTSMN1; SMN2RAB9A |
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 |