Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | AKT1 | P31749 | 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 | |
|---|---|---|---|---|
| SCHEMBL9850173 | 0.67 | MAOB (0.37) | ALDH1A1TSHRHPGDHSD17B10GAA | |
| Allylbenzene SCHEMBL12004553 | 0.63 | MAOB (0.57) | ALDH1A1TSHRKDM4EHPGDGAA | |
| SCHEMBL6238937 | 0.60 | — | — | |
| Allylbenzene SCHEMBL10325179 | 0.60 | MAOB (0.60) | ALDH1A1TSHRKDM4EHPGDGAA | |
| Allylbenzene SCHEMBL2478260 | 0.60 | MAOB (0.60) | ALDH1A1TSHRKDM4EHPGDGAA | |
| Allylbenzene SCHEMBL21274 | 0.60 | — | — | |
| SCHEMBL3003406 | 0.58 | ALDH1A1 (0.40) | ALDH1A1TSHRHPGDHSD17B10 | |
| Allylbenzene SCHEMBL6417054 | 0.58 | MAOB (0.57) | ALDH1A1TSHRKDM4EHPGDGAA | |
| Allylbenzene SCHEMBL16752547 | 0.58 | MAOB (0.57) | ALDH1A1TSHRKDM4EHPGDGAA | |
| Biphenyl SCHEMBL7803891 | 0.58 | ALDH1A1 (0.50) | ALDH1A1TSHRHTTKDM4EHPGD |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0779888-B1 | PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM | BOEHRINGER INGELHEIM PHARMA (DE) | 1999-04-28 | — | — | EP | claimed |
| EP-0885227-A1 | PYRIMIDO 5,4-d]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION | Dr. Karl Thomae GmbH (DE) | 1998-12-23 | — | — | EP | claimed |
| US-5707989-A | ANTITUMOR AGENTS, INHIBITING SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES | DR. KARL THOMAE GMBH (DE) | 1998-01-13 | — | — | US | claimed |
| WO-1997032882-A1 | PYRIMIDO[5,4-d]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION | DR. KARL THOMAE GMBH (DE) | 1997-09-12 | — | — | WO | claimed |
| EP-0779888-A1 | PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM | Dr. Karl Thomae GmbH (DE) | 1997-06-25 | — | — | EP | claimed |
| WO-1996007657-A1 | PYRIMIDO[5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM | DR. KARL THOMAE GMBH (DE) | 1996-03-14 | — | — | WO | claimed |
| EP-0196005-B1 | PYRIDAZINONES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Dr. Karl Thomae GmbH (DE) | 1989-12-20 | — | — | EP | claimed |
| EP-0196005-A1 | Pyridazinones, their preparation and pharmaceutical compositions containing them | Dr. Karl Thomae GmbH (DE) | 1986-10-01 | — | — | EP | claimed |
| EP-0779888-B1 | PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM | BOEHRINGER INGELHEIM PHARMA (DE) | 1999-04-28 | — | — | EP | disclosed |
| EP-0885227-A1 | PYRIMIDO 5,4-d]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION | Dr. Karl Thomae GmbH (DE) | 1998-12-23 | — | — | EP | disclosed |
| US-5707989-A | ANTITUMOR AGENTS, INHIBITING SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES | DR. KARL THOMAE GMBH (DE) | 1998-01-13 | — | — | US | disclosed |
| WO-1997032882-A1 | PYRIMIDO[5,4-d]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION | DR. KARL THOMAE GMBH (DE) | 1997-09-12 | — | — | WO | disclosed |
| EP-0779888-A1 | PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM | Dr. Karl Thomae GmbH (DE) | 1997-06-25 | — | — | EP | disclosed |
| WO-1996007657-A1 | PYRIMIDO[5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM | DR. KARL THOMAE GMBH (DE) | 1996-03-14 | — | — | WO | disclosed |
| EP-0196005-B1 | PYRIDAZINONES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Dr. Karl Thomae GmbH (DE) | 1989-12-20 | — | — | EP | disclosed |
| EP-0196005-A1 | Pyridazinones, their preparation and pharmaceutical compositions containing them | Dr. Karl Thomae GmbH (DE) | 1986-10-01 | — | — | EP | disclosed |
| EP-0196005-A1 | Pyridazinones, their preparation and pharmaceutical compositions containing them | Dr. Karl Thomae GmbH (DE) | 1986-10-01 | — | — | EP | disclosed |