Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8543162 | 0.92 | MAOB (0.49) | CYP1B1MAPTCES2CES1EGFR | |
| SCHEMBL8543155 | 0.92 | MAOB (0.49) | CYP1B1MAPTCES2CES1EGFR | |
| SCHEMBL12449789 | 0.85 | AKR1C1 (0.50) | MAPTL3MBTL1CYP19A1GRIN2BESR1 | |
| SCHEMBL911941 | 0.85 | AKR1C1 (0.50) | MAPTL3MBTL1CYP19A1GRIN2BESR1 | |
| SCHEMBL1567874 | 0.85 | AKR1C1 (0.50) | MAPTL3MBTL1CYP19A1GRIN2BESR1 | |
| SCHEMBL6867023 | 0.83 | GRIN2B (0.47) | MAPTGRIN2BLMNAGRIN1ALDH1A1 | |
| SCHEMBL8803174 | 0.82 | CYP19A1 (0.50) | CYP1B1CYP19A1ESR1ALDH1A1MAOB | |
| SCHEMBL14374244 | 0.81 | RECQL (0.46) | MAPTPTGS2GRIN2BLMNAGRIN1 | |
| SCHEMBL10439735 | 0.80 | CYP1B1 (0.49) | CYP1B1MAPTEGFRCYP19A1ESR1 | |
| SCHEMBL14960838 | 0.79 | ESR1 (0.67) | CYP1B1MAPTCES2CES1PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5663423-A | Method for handling (2-alkyl) (acryloyl) isocyanate, method for stabilizing (2-alkyl) (acryloyl) isocyanate, method for producing (2-alkyl) (acryloyl) isocyanate, heterocyclic compound, and method for producing heterocyclic compound | NIPPON PAINT CO., LTD (JP) | 1997-09-02 | — | — | US | disclosed |