Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | MEP1B | Q16820 | 2/20 | 0.32 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.32 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HMGCR | P04035 | 1/20 | 0.31 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL3878770 | 0.83 | ITGB1 (0.36) | ITGB1ITGA5USP2TSHRTUBB1 | |
| SCHEMBL5255903 | 0.73 | CES2 (0.44) | MEP1BITGB1ITGA5TUBB1MAPT | |
| SCHEMBL5402094 | 0.73 | KDM4E (0.45) | ALDH1A1PTGS2USP2HMGCRMEN1 | |
| SCHEMBL8995838 | 0.72 | POLB (0.40) | ALDH1A1TSHRMAPTHTTKMT2A | |
| SCHEMBL19304384 | 0.71 | ALDH1A1 (0.39) | DRD2ALDH1A1PTGS2MEP1BMAPT | |
| SCHEMBL6356661 | 0.71 | DRD2 (0.34) | DRD2ALDH1A1PTGS2TSHRTUBB1 | |
| SCHEMBL2567511 | 0.71 | IMPDH2 (0.33) | MEN1MAPTKMT2A | |
| SCHEMBL6170434 | 0.71 | ALDH1A1 (0.39) | ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL9381086 | 0.70 | KAT6A (0.45) | ALDH1A1ITGB1ITGA5TSHRHTT | |
| SCHEMBL5277970 | 0.70 | ITGB1 (0.40) | ALDH1A1ITGB1ITGA5TSHRMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-7902226-B2 | Dehalogeno-compounds | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2011-03-08 | — | — | US | disclosed |