Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IGF1R | P08069 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | AXL | P30530 | 1/20 | 0.36 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.36 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | NT5E | P21589 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL872699 | 0.84 | ALDH1A1 (0.34) | HPGDHSD17B10LMNAALDH1A1GAA | |
| SCHEMBL10650084 | 0.84 | LMNA (0.36) | HPGDHSD17B10LMNAHIF1AALDH1A1 | |
| SCHEMBL4208635 | 0.81 | ESR1 (0.39) | HPGDHSD17B10LMNAHIF1AALDH1A1 | |
| SCHEMBL10618792 | 0.79 | HPGD (0.33) | HPGDHSD17B10LMNAHIF1AALDH1A1 | |
| SCHEMBL9028592 | 0.78 | NR3C1 (0.32) | — | |
| SCHEMBL9029091 | 0.78 | NR3C1 (0.32) | — | |
| SCHEMBL8443514 | 0.77 | HPGD (0.41) | HPGDHSD17B10LMNAHIF1AALDH1A1 | |
| SCHEMBL8624118 | 0.75 | PTGS2 (0.31) | HPGDHSD17B10LMNAHIF1AALDH1A1 | |
| SCHEMBL1838149 | 0.75 | SRD5A1 (0.41) | HPGDHSD17B10LMNAHIF1AALDH1A1 | |
| SCHEMBL900006 | 0.75 | KMT2A (0.35) | HPGDHSD17B10LMNAHIF1APOLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0812844-B1 | Use of theophyllin derivatives for the treatment and prophylaxis fo shock conditions, novel xanthine compounds and processes for the production thereof | HOECHST AG (DE) | 2002-10-23 | — | — | EP | disclosed |
| EP-0812844-A2 | Use of theophyllin derivatives for the treatment and prophylaxis fo shock conditions, novel xanthine compounds and processes for the production thereof | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-12-17 | — | — | EP | disclosed |
| EP-0435152-B1 | Process for the enantioselective preparation of (omega-1)-hydroxyalkylxanthines | HOECHST AG (DE) | 1996-11-13 | — | — | EP | disclosed |
| EP-0435152-A2 | Process for the enantioselective preparation of (omega-1)-hydroxyalkylxanthines | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-07-03 | — | — | EP | disclosed |