Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CD44 | P16070 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ATP4A | P20648 | 2/20 | 0.39 |
| ▸ | ATP4B | P51164 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10505857 | 0.87 | CYP3A4 (0.46) | CYP3A4TDP1CD44ALDH1A1KDM4E | |
| SCHEMBL11206736 | 0.83 | GABRA1 (0.45) | CYP3A4ALDH1A1TAAR1GABRA1GABRB2 | |
| SCHEMBL3667054 | 0.80 | CD44 (0.54) | CYP3A4TDP1CD44ALDH1A1KDM4E | |
| SCHEMBL17745127 | 0.79 | GABRA1 (0.40) | CYP3A4ALDH1A1TAAR1GABRA1GABRB2 | |
| SCHEMBL30417664 | 0.78 | CD44 (0.52) | CYP3A4TDP1CD44ALDH1A1KDM4E | |
| SCHEMBL6344760 | 0.78 | CD44 (0.52) | CYP3A4TDP1CD44ALDH1A1KDM4E | |
| SCHEMBL17745129 | 0.77 | GABRA1 (0.44) | CYP3A4TDP1CD44ALDH1A1KDM4E | |
| SCHEMBL7624528 | 0.77 | GABRA1 (0.44) | CYP3A4TDP1ALDH1A1KDM4EGABRA1 | |
| SCHEMBL10517900 | 0.76 | CYP3A4 (0.46) | CYP3A4TDP1CD44ATP4AATP4B | |
| SCHEMBL27992005 | 0.75 | CYP3A4 (0.42) | CYP3A4TDP1CD44ALDH1A1KDM4E |
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-0286971-B1 | CATIONIC DIAZA CYANINE DYES | BAYER AG (DE) | 1992-07-29 | — | — | EP | disclosed |
| US-4840641-A | Cationic diazacyanine dyestuffs for dyeing polyacrylonitrile-wool blends | BAYER AKTIENGESELLSCHAFT (DE) | 1989-06-20 | — | — | US | disclosed |
| EP-0286971-A2 | Cationic diaza cyanine dyes | BAYER AG (DE) | 1988-10-19 | — | — | EP | disclosed |