Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 6/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 5/20 | 0.38 |
| ▸ | CA1 | P00915 | 5/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL15102103 | 0.91 | CYP2D6 (0.55) | CYP2D6THRBHSD17B10CA2LMNA | |
| SCHEMBL13419003 | 0.91 | CYP2D6 (0.55) | CYP2D6THRBHSD17B10CA2LMNA | |
| SCHEMBL13526178 | 0.91 | CYP2D6 (0.55) | CYP2D6THRBHSD17B10CA2LMNA | |
| SCHEMBL12677630 | 0.91 | CYP2D6 (0.55) | CYP2D6THRBHSD17B10CA2LMNA | |
| SCHEMBL12410179 | 0.91 | CYP2D6 (0.55) | CYP2D6THRBHSD17B10CA2LMNA | |
| SCHEMBL16981645 | 0.85 | CYP2D6 (0.51) | CYP2D6THRBHSD17B10CA2LMNA | |
| SCHEMBL17005596 | 0.83 | CYP2D6 (0.60) | CYP2D6THRBHSD17B10CA2LMNA | |
| SCHEMBL17005588 | 0.83 | CYP2D6 (0.60) | CYP2D6THRBHSD17B10CA2LMNA | |
| SCHEMBL17005589 | 0.83 | CYP2D6 (0.60) | CYP2D6THRBHSD17B10CA2LMNA | |
| SCHEMBL12677658 | 0.83 | CYP2D6 (0.51) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013085397-A1 | ORGANIC COMPOUNDS | RESENE PAINTS LIMITED (NZ) | 2013-06-13 | — | — | WO | disclosed |