Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | KCNN4 | O15554 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | 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 |
| ▸ | CES1 | P23141 | 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 | |
|---|---|---|---|---|
| SCHEMBL28116513 | 0.87 | CYP1A2 (0.52) | CYP1A2CYP2D6MAPTKMT2AKCNN4 | |
| SCHEMBL2208876 | 0.86 | CYP1A2 (0.54) | CYP1A2CYP2D6MAPTKMT2AKCNN4 | |
| SCHEMBL7527959 | 0.82 | CYP1A2 (0.50) | CYP1A2CYP2D6MAPTKMT2AKCNN4 | |
| SCHEMBL28691664 | 0.82 | CYP1A2 (0.50) | CYP1A2CYP2D6MAPTKMT2AKCNN4 | |
| SCHEMBL27974039 | 0.80 | CYP1A2 (0.46) | CYP1A2CYP2D6MAPTKMT2AKCNN4 | |
| SCHEMBL14938400 | 0.80 | MAPT (0.54) | CYP1A2CYP2D6MAPTKMT2AKCNN4 | |
| SCHEMBL869695 | 0.78 | KCNN4 (0.60) | CYP1A2CYP2D6MAPTKMT2AKCNN4 | |
| SCHEMBL27865088 | 0.78 | KCNN4 (0.60) | CYP1A2CYP2D6MAPTKMT2AKCNN4 | |
| SCHEMBL9998398 | 0.78 | OPRM1 (0.49) | CYP1A2CYP2D6MAPTKMT2AKCNN4 | |
| Water SCHEMBL5173327 | 0.76 | OPRM1 (0.47) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-5010161-A | Of poly (phenylenebisalkylene) poly (phenylamine) with aldehyde, regenerated under hydrolysis, for use in moisture curable polyurethanes | MITSUI TOATSU CHEMICALS, INC. (JP) | 1991-04-23 | — | — | US | disclosed |
| EP-0375318-A2 | Polyaldimine derivatives | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1990-06-27 | — | — | EP | disclosed |