Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 18/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 16/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 16/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 14/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 11/20 | 0.45 |
| ▸ | TSHR | P16473 | 10/20 | 0.45 |
| ▸ | USP2 | O75604 | 10/20 | 0.45 |
| ▸ | CASP1 | P29466 | 9/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 8/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.44 |
| ▸ | HPGD | P15428 | 5/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 7/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.43 |
| ▸ | HBB | P68871 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11158073 | 0.74 | HSD17B10 (0.41) | CYP1A2CYP3A4ALDH1A1HSD17B10CYP2D6 | |
| SCHEMBL11159602 | 0.73 | MAPT (0.41) | CYP1A2CYP3A4ALDH1A1HSD17B10CYP2D6 | |
| SCHEMBL11155724 | 0.71 | ALDH1A1 (0.41) | CYP1A2CYP3A4ALDH1A1HSD17B10CYP2D6 | |
| SCHEMBL11350483 | 0.68 | ALDH1A1 (0.42) | CYP1A2CYP3A4ALDH1A1HSD17B10CYP2D6 | |
| SCHEMBL17544480 | 0.67 | CYP1A2 (0.43) | CYP1A2CYP3A4ALDH1A1HSD17B10CYP2D6 | |
| SCHEMBL18980077 | 0.66 | RAB9A (0.58) | CYP1A2CYP3A4ALDH1A1CYP2C19TP53 | |
| SCHEMBL11152903 | 0.66 | ALDH1A1 (0.41) | CYP1A2CYP3A4ALDH1A1HSD17B10CYP2D6 | |
| SCHEMBL11166828 | 0.66 | ALDH1A1 (0.41) | CYP1A2CYP3A4ALDH1A1HSD17B10CYP2D6 | |
| SCHEMBL11160237 | 0.66 | TSHR (0.41) | CYP1A2CYP3A4ALDH1A1HSD17B10CYP2D6 | |
| SCHEMBL266418 | 0.65 | RAB9A (0.54) | ALDH1A1HSD17B10TSHRTP53HPGD |
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-0032131-B1 | 5-HALO-PYRIMIDIN-2-ONES, THE SALTS THEREOF, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | NYEGAARD & CO. A/S (NO) | 1983-09-21 | — | — | EP | disclosed |
| US-4399140-A | CYTOTOXIC | NYEGAARD & CO. A/S (NO) | 1983-08-16 | — | — | US | disclosed |