Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 6/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 5/20 | 0.47 |
| ▸ | CDK2 | P24941 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | CDK1 | P06493 | 1/20 | 0.46 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9776417 | 0.87 | PKM (0.55) | PKMPOLBHTTCDK2GFER | |
| SCHEMBL9776611 | 0.85 | PKM (0.49) | PKMPOLBHTTCDK2GFER | |
| SCHEMBL9776568 | 0.84 | PKM (0.54) | PKMPOLBHTTCDK2GFER | |
| SCHEMBL9524992 | 0.82 | PKM (0.65) | PKMPOLBHTTCDK2GFER | |
| SCHEMBL9776419 | 0.80 | PKM (0.49) | PKMPOLBHTTCDK2GFER | |
| SCHEMBL9776577 | 0.79 | PKM (0.50) | PKMPOLBHTTCDK2GFER | |
| SCHEMBL9532763 | 0.76 | NPC1 (0.43) | PKMHTTGFERMAPTALDH1A1 | |
| SCHEMBL9776424 | 0.75 | PKM (0.55) | PKMPOLBHTTCDK2GFER | |
| SCHEMBL9776423 | 0.75 | PKM (0.55) | PKMPOLBHTTCDK2GFER | |
| SCHEMBL11002900 | 0.73 | PKM (0.54) | PKMPOLBHTTCDK2GFER |
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 |
|---|---|---|---|---|---|---|---|
| US-4985432-A | 5H-1,3,4-thiadiazolo(3,2-A)pyrimidin-5-one derivatives and agricultural-horticultural fungicide composition containing the same | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1991-01-15 | — | — | US | disclosed |
| EP-0242690-A2 | 5H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-5-one derivatives and agricultural-horticultural fungicide composition containing the same | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1987-10-28 | — | — | EP | disclosed |