Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | MAOB | P27338 | 3/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | GPR3 | P46089 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30492726 | 1.00 | CYP2A6 (0.45) | CYP2A6MAPTMAOBMAOAHDAC3 | |
| SCHEMBL22338870 | 0.83 | CYP2A6 (0.42) | CYP2A6MAPTMAOBMAOAHDAC3 | |
| SCHEMBL22338696 | 0.83 | MAPT (0.46) | CYP2A6MAPTMAOBMAOAHDAC3 | |
| SCHEMBL22303447 | 0.80 | MAPT (0.43) | CYP2A6MAPTMAOBMAOAHDAC3 | |
| SCHEMBL9277072 | 0.79 | CYP2A6 (0.50) | CYP2A6MAPTMAOBMAOAHDAC3 | |
| SCHEMBL17023619 | 0.79 | CYP2A6 (0.50) | CYP2A6MAPTMAOBMAOAHDAC3 | |
| SCHEMBL9282619 | 0.79 | CYP2A6 (0.52) | CYP2A6MAPTMAOBMAOAHDAC3 | |
| SCHEMBL74015 | 0.78 | MAPT (0.48) | CYP2A6MAPTHDAC3HDAC4HDAC1 | |
| SCHEMBL12264370 | 0.77 | MAPT (0.44) | CYP2A6MAPTMAOBMAOAHDAC3 | |
| SCHEMBL19431288 | 0.75 | MAPT (0.46) | CYP2A6MAPTHDAC3HDAC4HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4939140-A | ALDOSE REDUCTASE INHIBITORS | PFIZER INC. (US) | 1990-07-03 | — | — | US | claimed |
| CN-105263926-A | Benzothiophene compound | ASTELLAS PHARMA INC | 2016-01-20 | — | — | CN | disclosed |
| EP-2460802-B1 | TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALTS, PROCESS FOR PRODUCTION THEREOF, AND PROCESS FOR PRODUCTION OF TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING SAME | NAGOYA INST TECHNOLOGY (JP) | 2014-09-03 | — | — | EP | disclosed |
| EP-2460802-A1 | TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALTS, PROCESS FOR PRODUCITON THEREOF, AND PROCESS FOR PRODUCTION OF TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING SAME | Nagoya Institute of Technology (JP) | 2012-06-06 | — | — | EP | disclosed |