Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.42 |
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CETP | P11597 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10770087 | 0.86 | LTA4H (0.44) | TSHRCYP3A4MAPK1TP53LTA4H | |
| SCHEMBL10171416 | 0.79 | PLA2G2A (0.49) | TSHRPLA2G2ABLMALDH1A1MEN1 | |
| SCHEMBL2945289 | 0.79 | TSHR (0.47) | TSHRCYP3A4MAPK1TP53LMNA | |
| SCHEMBL10351423 | 0.78 | TSHR (0.48) | TSHRCYP3A4MAPK1TP53LTA4H | |
| SCHEMBL345325 | 0.76 | PLA2G2A (0.46) | TSHRPLA2G2ABLMALDH1A1MEN1 | |
| SCHEMBL28253232 | 0.76 | NPC1 (0.46) | TSHRMAPK1LMNAALDH1A1MEN1 | |
| SCHEMBL10777388 | 0.75 | ALDH1A1 (0.43) | TSHRLMNAALDH1A1MEN1MAPT | |
| SCHEMBL9417494 | 0.75 | PLA2G2A (0.50) | TSHRCYP3A4MAPK1TP53PLA2G2A | |
| SCHEMBL9417618 | 0.75 | PLA2G2A (0.50) | TSHRCYP3A4MAPK1TP53PLA2G2A | |
| SCHEMBL2368553 | 0.74 | TSHR (0.45) | TSHRCYP3A4MAPK1TP53LTA4H |
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 |
|---|---|---|---|---|---|---|---|
| CN-1078968-A | 2-Piperazinone compounds and their preparation and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1993-12-01 | — | — | CN | disclosed |
| CN-1069730-A | 2-Piperazinone compounds and their preparation and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1993-03-10 | — | — | CN | disclosed |