Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | XBP1 | P17861 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8374779 | 0.85 | CES2 (0.31) | CES2CES1ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL8375250 | 0.85 | CES2 (0.31) | CES2CES1ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL8376089 | 0.85 | CES2 (0.31) | CES2CES1ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL7237367 | 0.84 | HIF1A (0.41) | HIF1ATDP1ALDH1A1L3MBTL1CYP2D6 | |
| SCHEMBL29371667 | 0.84 | HIF1A (0.45) | HIF1ATDP1ALDH1A1L3MBTL1CYP2D6 | |
| Bromide SCHEMBL3076 | 0.81 | HIF1A (0.43) | HIF1ATDP1ALDH1A1L3MBTL1CYP2D6 | |
| Iodide SCHEMBL42631 | 0.81 | HIF1A (0.43) | HIF1ATDP1ALDH1A1L3MBTL1CYP2D6 | |
| Water SCHEMBL2821350 | 0.81 | HIF1A (0.43) | HIF1ATDP1ALDH1A1L3MBTL1CYP2D6 | |
| Fluoride Ion SCHEMBL4615710 | 0.81 | HIF1A (0.43) | HIF1ATDP1ALDH1A1L3MBTL1CYP2D6 | |
| Bromide SCHEMBL29712281 | 0.81 | HIF1A (0.43) | HIF1ATDP1ALDH1A1L3MBTL1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-4713455-A | FOR OBSTRUCTIVE DISORDERS OF THE RESPIRATORY TRACT | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-12-15 | — | — | US | disclosed |
| US-4616020-A | TREATING OBSTRUCTIVE RESPIRATORY DISEASES | HOECHST AKTIENGESELLSCHAFT (DE) | 1986-10-07 | — | — | US | disclosed |
| EP-0075850-B1 | PHARMACEUTICAL PREPARATIONS CONTAINING VICINAL DIHYDROXYALKYL XANTHINES, PROCESS FOR THE PREPARATION OF THE XANTHINES AND THE APPROPRIATE INTERMEDIATES THEREFOR | HOECHST AKTIENGESELLSCHAFT (DE) | 1985-12-18 | — | — | EP | disclosed |