Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 9/20 | 0.49 |
| ▸ | HSP90AB1 | P08238 | 7/20 | 0.49 |
| ▸ | COMT | P21964 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 5/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SPR | P35270 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KDM4A | O75164 | 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 | |
|---|---|---|---|---|
| SCHEMBL18952912 | 0.91 | HSP90AA1 (0.56) | HSP90AA1HSP90AB1COMTHPGDUSP2 | |
| SCHEMBL19015262 | 0.84 | COMT (0.57) | HSP90AA1HSP90AB1COMTHPGDUSP2 | |
| SCHEMBL23640265 | 0.81 | HSP90AA1 (0.54) | HSP90AA1HSP90AB1COMTHPGDLMNA | |
| SCHEMBL16513061 | 0.74 | CYP1A2 (0.41) | HSP90AA1HSP90AB1COMTHPGDUSP2 | |
| SCHEMBL7989100 | 0.73 | GRIN2D (0.59) | HSP90AA1HSP90AB1COMTHPGDUSP2 | |
| SCHEMBL19015263 | 0.73 | COMT (0.65) | HSP90AA1HSP90AB1COMTHPGDUSP2 | |
| SCHEMBL18570098 | 0.72 | HSP90AA1 (0.64) | HSP90AA1HSP90AB1HPGDLMNAMEN1 | |
| SCHEMBL3739313 | 0.71 | HPGD (0.51) | HSP90AA1HSP90AB1HPGDUSP2LMNA | |
| SCHEMBL6282738 | 0.71 | KDM4E (0.55) | HPGDTDP1CYP1A2TSHRMAPK1 | |
| SCHEMBL13255969 | 0.71 | KDM4E (0.55) | HPGDTDP1CYP1A2TSHRMAPK1 |
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-2017097924-A1 | NAPHTHOINDACENODITHIOPHENES AND POLYMERS | BASF SE (DE) | 2017-06-15 | — | — | WO | disclosed |