Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.30 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.30 |
| ▸ | EP300 | Q09472 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28783649 | 0.86 | ADRB2 (0.39) | EPHX2LIPG | |
| Trifluoroacetic Acid SCHEMBL27779335 | 0.81 | TGFBR1 (0.40) | TGFBR1 | |
| Trifluoroacetic Acid SCHEMBL27861538 | 0.78 | GPR6 (0.36) | KIF11 | |
| SCHEMBL27800792 | 0.77 | — | — | |
| SCHEMBL10025680 | 0.75 | ADRB1 (0.33) | EPHX2ADRB1LIPG | |
| Trifluoroacetic Acid SCHEMBL27779309 | 0.73 | DPP4 (0.36) | KCNH2TGFBR1 | |
| SCHEMBL14962429 | 0.71 | — | — | |
| SCHEMBL19705565 | 0.71 | HTR2C (0.33) | — | |
| SCHEMBL29429395 | 0.70 | EPHX2 (0.38) | EPHX2ADRB1 | |
| SCHEMBL22165945 | 0.70 | EPHX2 (0.38) | EPHX2ADRB1 |
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-101641360-B | Piperazine derivatives, preparation process and pharmaceutical use thereof | SHANGHAI HENGRUI PHARM CO LTD | 2012-07-11 | — | — | CN | disclosed |
| CN-101641360-A | Piperazine derivatives, preparation method and medical application thereof | SHANGHAI HENGRUI PHARM CO LTD | 2010-02-03 | — | — | CN | disclosed |