Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 2/20 | 0.37 |
| ▸ | NOS1 | P29475 | 2/20 | 0.37 |
| ▸ | NOS2 | P35228 | 2/20 | 0.37 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.36 |
| ▸ | HTR3B | O95264 | 2/20 | 0.36 |
| ▸ | HTR3A | P46098 | 2/20 | 0.36 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.36 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.36 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9869506 | 0.82 | ALDH1A1 (0.36) | CYP2C9ALDH1A1NOS3NOS1NOS2 | |
| SCHEMBL10119196 | 0.77 | CYP2C9 (0.48) | CYP2C9CYP2D6ALDH1A1LMNANOS3 | |
| SCHEMBL11982401 | 0.77 | CYP2C9 (0.48) | CYP2C9CYP2D6ALDH1A1LMNANOS3 | |
| SCHEMBL7590560 | 0.68 | CYP2D6 (0.44) | CYP2C9CYP2D6ALDH1A1LMNANOS3 | |
| SCHEMBL30621334 | 0.67 | CYP2D6 (0.56) | CYP2C9CYP2D6ALDH1A1LMNAHTR3E | |
| SCHEMBL10432489 | 0.67 | CYP2C9 (0.40) | CYP2C9CYP2D6ALDH1A1LMNAKDM4E | |
| SCHEMBL14816948 | 0.67 | CYP2D6 (0.56) | CYP2C9CYP2D6ALDH1A1LMNAHTR3E | |
| SCHEMBL13310185 | 0.65 | CYP2D6 (0.41) | CYP2C9CYP2D6ALDH1A1LMNAHTR3E | |
| SCHEMBL7590594 | 0.65 | PTGS2 (0.44) | CYP2C9CYP2D6ALDH1A1LMNAKDM4E | |
| SCHEMBL12462948 | 0.65 | CYP2D6 (0.54) | CYP2C9CYP2D6ALDH1A1LMNAHTR3E |
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 |