Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 16/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 16/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 15/20 | 0.37 |
| ▸ | CASP1 | P29466 | 13/20 | 0.37 |
| ▸ | CASP7 | P55210 | 12/20 | 0.37 |
| ▸ | HPGD | P15428 | 12/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.35 |
| ▸ | USP2 | O75604 | 6/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2561676 | 0.71 | MEN1 (0.41) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| SCHEMBL10502433 | 0.66 | ALDH1A1 (0.47) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| SCHEMBL28710773 | 0.65 | HRH1 (0.61) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| SCHEMBL10965679 | 0.65 | SMN1; SMN2 (0.40) | ALDH1A1HSD17B10HPGDMEN1KMT2A | |
| SCHEMBL10503481 | 0.65 | KHK (0.41) | — | |
| SCHEMBL7623556 | 0.64 | ALDH1A1 (0.38) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| SCHEMBL27417370 | 0.64 | POLB (0.45) | ALDH1A1HSD17B10TSHRMEN1KMT2A | |
| SCHEMBL10413534 | 0.64 | KDM4E (0.42) | ALDH1A1CYP1A2HSD17B10TSHRMEN1 | |
| SCHEMBL7140223 | 0.63 | HRH3 (0.51) | ALDH1A1CYP1A2HSD17B10CYP3A4CYP2C9 | |
| SCHEMBL10965684 | 0.62 | SMN1; SMN2 (0.40) | ALDH1A1HPGDMEN1KMT2ASMN1; SMN2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0167817-B1 | 8-Alkylthio-2-piperazino-pyrimido[5,4-d]pyrimidines, their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1989-09-20 | — | — | EP | claimed |
| US-4714698-A | ANTITUMOR, ANTICOAGULANT | DR. KARL THOMAE GMBH (DE) | 1987-12-22 | — | — | US | claimed |
| EP-0167817-A1 | 8-Alkylthio-2-piperazino-pyrimido[5,4-d]pyrimidines, their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1986-01-15 | — | — | 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-0167817-B1 | 8-Alkylthio-2-piperazino-pyrimido[5,4-d]pyrimidines, their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1989-09-20 | — | — | EP | disclosed |
| EP-0167817-B1 | 8-Alkylthio-2-piperazino-pyrimido[5,4-d]pyrimidines, their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1989-09-20 | — | — | EP | disclosed |
| US-4714698-A | ANTITUMOR, ANTICOAGULANT | DR. KARL THOMAE GMBH (DE) | 1987-12-22 | — | — | US | disclosed |
| US-4714698-A | ANTITUMOR, ANTICOAGULANT | DR. KARL THOMAE GMBH (DE) | 1987-12-22 | — | — | US | disclosed |
| EP-0167817-A1 | 8-Alkylthio-2-piperazino-pyrimido[5,4-d]pyrimidines, their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1986-01-15 | — | — | EP | disclosed |