Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QPCT | Q16769 | 1/20 | 0.51 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.51 |
| ▸ | BRD4 | O60885 | 2/20 | 0.50 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | CLK2 | P49760 | 2/20 | 0.44 |
| ▸ | CLK3 | P49761 | 2/20 | 0.44 |
| ▸ | WNT1 | P04628 | 1/20 | 0.44 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27143869 | 1.00 | QPCT (0.51) | QPCTQPCTLBRD4DYRK1AGSK3B | |
| SCHEMBL31501287 | 0.90 | BRD4 (0.49) | QPCTQPCTLBRD4DYRK1AGSK3B | |
| SCHEMBL903206 | 0.83 | BRD4 (0.52) | QPCTQPCTLBRD4MAPK1CLK2 | |
| SCHEMBL29477064 | 0.81 | DPP4 (0.57) | BRD4CYP3A4PARP1ALDH1A1ABL1 | |
| SCHEMBL3858256 | 0.81 | DPP4 (0.57) | BRD4CYP3A4PARP1ALDH1A1ABL1 | |
| SCHEMBL20878376 | 0.78 | BRD4 (0.56) | BRD4PARP1ALDH1A1ABL1 | |
| SCHEMBL21744628 | 0.77 | TDO2 (0.56) | QPCTQPCTLBRD4DYRK1AGSK3B | |
| SCHEMBL28094392 | 0.77 | BRD4 (0.52) | QPCTQPCTLBRD4DYRK1AMAPK1 | |
| SCHEMBL903194 | 0.75 | CYP17A1 (0.50) | BRD4CYP1A2TDO2 | |
| SCHEMBL900109 | 0.75 | CYP17A1 (0.48) | QPCTQPCTLBRD4DYRK1AGSK3B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4326723-A1 | PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF | Université de Montréal (CA) | 2024-02-28 | — | — | EP | disclosed |
| WO-2022221940-A1 | PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF | UNIVERSITE DE MONTREAL (CA) | 2022-10-27 | — | — | WO | disclosed |