Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.41 |
| ▸ | TSHR | P16473 | 5/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD5 | P21918 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 11/20 | 0.39 |
| ▸ | USP2 | O75604 | 8/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.39 |
| ▸ | CASP1 | P29466 | 7/20 | 0.39 |
| ▸ | CASP7 | P55210 | 6/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | PDE4A | P27815 | 2/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11160237 | 0.82 | TSHR (0.41) | ALDH1A1TSHRCYP1A2USP2HSD17B10 | |
| SCHEMBL11155724 | 0.82 | ALDH1A1 (0.41) | ALDH1A1TSHRDRD4DRD5CYP1A2 | |
| SCHEMBL11152903 | 0.82 | ALDH1A1 (0.41) | ALDH1A1TSHRCYP1A2USP2HSD17B10 | |
| SCHEMBL11163016 | 0.75 | SMN1; SMN2 (0.44) | TSHRLMNAHPGD | |
| SCHEMBL10802151 | 0.75 | TSHR (0.52) | ALDH1A1TSHRHSD17B10MEN1KMT2A | |
| SCHEMBL11152620 | 0.69 | CNOT7 (0.44) | ALDH1A1HSD17B10PLA2G7MAPT | |
| SCHEMBL11170252 | 0.66 | NPC1 (0.40) | ALDH1A1TSHRCYP1A2LMNAPDE4A | |
| SCHEMBL11154918 | 0.66 | TSHR (0.38) | ALDH1A1TSHRCASP7HPGDPLA2G7 | |
| SCHEMBL10813995 | 0.66 | GABRA1 (0.37) | ALDH1A1TSHRCYP1A2USP2HSD17B10 | |
| SCHEMBL11164347 | 0.66 | CYP1A2 (0.45) | ALDH1A1TSHRCYP1A2USP2HSD17B10 |
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-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 |
| EP-0032131-A1 | 5-Halo-pyrimidin-2-ones, the salts thereof, processes for their preparation and pharmaceutical compositions containing them | NYEGAARD & CO. A/S (NO) | 1981-07-15 | — | — | EP | disclosed |