Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.33 |
| ▸ | TLR4 | O00206 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.30 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.30 |
| ▸ | CDC25B | P30305 | 1/20 | 0.30 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5741235 | 0.96 | ALDH1A1 (0.37) | CYP2D6ALDH1A1F10TLR4KDM4E | |
| SCHEMBL5740043 | 0.81 | MAPT (0.35) | CYP2D6ALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL10361297 | 0.74 | CYP2D6 (0.51) | CYP2D6ALDH1A1KDM4EHSD17B10MAPT | |
| SCHEMBL21733525 | 0.72 | TLR4 (0.45) | ALDH1A1TLR4KDM4EHSD17B10HPGD | |
| SCHEMBL11203639 | 0.71 | ALDH1A1 (0.46) | CYP2D6ALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL15416529 | 0.70 | ALDH1A1 (0.45) | ALDH1A1TLR4KDM4EHSD17B10HPGD | |
| SCHEMBL5741816 | 0.69 | ALDH1A1 (0.36) | CYP2D6ALDH1A1TLR4KDM4EHSD17B10 | |
| SCHEMBL14033344 | 0.69 | TLR4 (0.44) | CYP2D6ALDH1A1TLR4KDM4EHSD17B10 | |
| SCHEMBL22581222 | 0.66 | — | — | |
| SCHEMBL3601648 | 0.65 | ALDH1A1 (0.49) | CYP2D6ALDH1A1KDM4EMAPTKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1406891-B1 | THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES | BAYER HEALTHCARE AG (DE) | 2006-03-22 | — | — | EP | disclosed |
| EP-1406891-A1 | THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES | Bayer HealthCare AG (DE) | 2004-04-14 | — | — | EP | disclosed |
| WO-2003053955-A1 | THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES | BAYER HEALTHCARE AG (DE) | 2003-07-03 | — | — | WO | disclosed |