Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | POLB | P06746 | 2/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.58 |
| ▸ | PDE4A | P27815 | 3/20 | 0.57 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.57 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.57 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.57 |
| ▸ | CNOT7 | Q9UIV1 | 4/20 | 0.56 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | PDE1A | P54750 | 1/20 | 0.53 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.53 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL1946890 | 0.92 | POLB (0.67) | KMT2AMEN1POLBHIF1APDE4A | |
| SCHEMBL3615415 | 0.89 | ALDH1A1 (0.63) | KMT2AMEN1POLBHIF1APDE4A | |
| SCHEMBL1947176 | 0.89 | KMT2A (0.71) | KMT2AMEN1POLBHIF1APDE4A | |
| SCHEMBL3106268 | 0.88 | LMNA (0.58) | KMT2AMEN1POLBHIF1APDE4A | |
| SCHEMBL3112709 | 0.88 | POLB (0.68) | POLBHIF1APDE4APDE4BPDE4C | |
| SCHEMBL3186736 | 0.88 | CNOT7 (0.61) | KMT2AMEN1POLBHIF1APDE4A | |
| SCHEMBL27369794 | 0.86 | KMT2A (0.63) | KMT2AMEN1POLBHIF1APDE4A | |
| SCHEMBL1944712 | 0.85 | POLB (0.70) | KMT2AMEN1POLBHIF1APDE4A | |
| SCHEMBL7603086 | 0.83 | KMT2A (0.62) | KMT2AMEN1POLBHIF1APDE4A | |
| SCHEMBL555902 | 0.82 | PDE1A (0.70) | KMT2AMEN1POLBHIF1APDE4A |
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-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 |
| US-6214992-B1 | THEOPHYLLINE DERIVATIVES HAVING AT LEAST ONE ETHER FUNCTION IN METHYL RADICAL; XANTHINE COMPOUNDS WITH THIS SUBSTITUTION PATTERN USED AS ANTISHOCK TREATMENT | HOECHST AKTIENGESELLSCHAFT (DE) | 2001-04-10 | — | — | US | 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 |