Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 11/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 10/20 | 0.41 |
| ▸ | CA1 | P00915 | 9/20 | 0.41 |
| ▸ | CA9 | Q16790 | 8/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
| ▸ | CA5A | P35218 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18814196 | 1.00 | CYP2D6 (0.49) | CYP2D6THRBHSD17B10CA2LMNA | |
| SCHEMBL13419005 | 1.00 | CYP2D6 (0.49) | CYP2D6THRBHSD17B10CA2LMNA | |
| SCHEMBL12410176 | 1.00 | CYP2D6 (0.49) | CYP2D6THRBHSD17B10CA2LMNA | |
| SCHEMBL18804466 | 0.92 | CYP2D6 (0.46) | CYP2D6THRBHSD17B10CA2LMNA | |
| SCHEMBL26869620 | 0.92 | CYP2D6 (0.46) | CYP2D6THRBHSD17B10CA2LMNA | |
| SCHEMBL17590287 | 0.92 | CYP2D6 (0.46) | CYP2D6THRBHSD17B10CA2LMNA | |
| SCHEMBL26869721 | 0.92 | CYP2D6 (0.46) | CYP2D6THRBHSD17B10CA2LMNA | |
| SCHEMBL17049754 | 0.91 | CYP2D6 (0.51) | CYP2D6THRBHSD17B10CA2LMNA | |
| SCHEMBL17521931 | 0.91 | CYP2D6 (0.51) | CYP2D6THRBHSD17B10CA2LMNA | |
| SCHEMBL15868889 | 0.89 | LGALS3 (0.43) | CYP2D6THRBHSD17B10CA2LMNA |
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-9000148-B2 | Flame retardant cellulose acetate | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2015-04-07 | — | — | US | disclosed |
| US-20140194616-A1 | FLAME RETARDANT CELLULOSE ACETATE | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2014-07-10 | — | — | US | disclosed |