Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.40 |
| ▸ | CHRNG | P07510 | 1/20 | 0.40 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | CHRND | Q07001 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | KCNQ3 | O43525 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL671907 | 0.85 | CES2 (0.61) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL23709229 | 0.83 | CES2 (0.55) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL2582326 | 0.81 | CES1 (0.57) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| Acetoacetic Acid SCHEMBL27781700 | 0.80 | ACHE (0.49) | CES2CES1ACHERAB9AMEN1 | |
| Acetoacetic Acid SCHEMBL28188009 | 0.78 | CES2 (0.42) | CES2CES1RAB9AMAOBNPC1 | |
| Acetoacetic Acid SCHEMBL7811488 | 0.76 | RAB9A (0.41) | CES2CES1RAB9AMEN1KMT2A | |
| SCHEMBL9821051 | 0.73 | HDAC1 (0.65) | ACHERAB9AMEN1KMT2ANPC1 | |
| SCHEMBL4621038 | 0.73 | PIM1 (0.55) | CES2CES1ACHEMAOAMAOB | |
| SCHEMBL727030 | 0.73 | CES2 (0.55) | CES2CES1RAB9AKMT2AGAA | |
| SCHEMBL633278 | 0.72 | CES2 (0.59) | CES2CES1CHRNA1CHRNGCHRNB1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104387259-B | One is prepared the method for 2,4,5-trifluoro benzene acetic acid | QUZHOU UNIVERSITY (CN) | 2016-05-04 | — | — | CN | claimed |
| CN-104387259-B | One is prepared the method for 2,4,5-trifluoro benzene acetic acid | QUZHOU UNIVERSITY (CN) | 2016-05-04 | — | — | CN | disclosed |
| CN-104387259-B | One is prepared the method for 2,4,5-trifluoro benzene acetic acid | QUZHOU UNIVERSITY (CN) | 2016-05-04 | — | — | CN | disclosed |
| CN-104387259-A | Method for preparing 2,4,5-trifluorophenylacetic acid | UNIV QUZHOU | 2015-03-04 | — | — | CN | disclosed |