Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 4/20 | 0.45 |
| ▸ | CA1 | P00915 | 4/20 | 0.45 |
| ▸ | CA2 | P00918 | 4/20 | 0.45 |
| ▸ | CA7 | P43166 | 4/20 | 0.45 |
| ▸ | CA9 | Q16790 | 4/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | CDC25B | P30305 | 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 | |
|---|---|---|---|---|
| SCHEMBL29162781 | 0.82 | LCK (0.56) | CYP2D6ALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL2988901 | 0.82 | LCK (0.56) | CYP2D6ALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL6131021 | 0.80 | KDM4E (0.48) | CYP2D6ALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL2990424 | 0.80 | LCK (0.54) | CYP2D6ALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL28809636 | 0.80 | CYP2D6 (0.42) | CYP2D6ALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL63328 | 0.80 | CYP2D6 (0.42) | CYP2D6ALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL411654 | 0.80 | ALDH1A1 (0.44) | CYP2D6ALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL3442549 | 0.78 | KDM4E (0.47) | CYP2D6ALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL8899334 | 0.78 | ALDH1A1 (0.43) | CYP2D6ALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL6409409 | 0.75 | HSD17B10 (0.49) | CYP2D6ALDH1A1HSD17B10KDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0835891-B1 | Water-dispersible blocked isocyanate composition, and water-base paint composition and water base adhesive composition using the same | NIPPON POLYURETHANE KOGYO KK (JP) | 2004-03-31 | — | — | EP | disclosed |
| US-6080812-A | TRIMERIZING A DIISOCYANATE-DIOL-DIISOCYANATE CONDENSATION PRODUCT TO FORM ISOCYANURATE MACROMOLECULAR MONOMER, REACTING WITH HYDROPHILIC SURFACTANT TO FORM A URETHANE/ISOCYANURATE COPOLYMER, THEN BLOCKING REMAINING ISOCYANATE GROUPS | NIPPON POLYURETHANE INDUSTRY C. LTD. (JP) | 2000-06-27 | — | — | US | disclosed |
| US-5998539-A | ISOCYANATE BLOCKED WITH AN ALCOHOL | NIPPON POLYURETHANE INDUSTRY CO., LTD. (JP) | 1999-12-07 | — | — | US | disclosed |
| EP-0835891-A1 | Water-dispersible blocked isocyanate composition, and water-base paint composition and water base adhesive composition using the same | Nippon Polyurethane Industry Co. Ltd. (JP) | 1998-04-15 | — | — | EP | disclosed |