Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 1/20 | 0.65 |
| ▸ | CTSB | P07858 | 1/20 | 0.65 |
| ▸ | MMP9 | P14780 | 1/20 | 0.65 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.65 |
| ▸ | DNMT3B | Q9UBC3 | 1/20 | 0.65 |
| ▸ | DNMT3L | Q9UJW3 | 1/20 | 0.65 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.65 |
| ▸ | LCK | P06239 | 2/20 | 0.59 |
| ▸ | HNF4A | P41235 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | HPGD | P15428 | 4/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.52 |
| ▸ | KDR | P35968 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL5916694 | 0.86 | KLKB1 (0.65) | KLKB1CTSBMMP9DNMT1DNMT3B | |
| SCHEMBL27698721 | 0.84 | KLKB1 (0.62) | KLKB1CTSBMMP9DNMT1DNMT3B | |
| SCHEMBL11518131 | 0.83 | LCK (0.65) | KLKB1CTSBMMP9DNMT1DNMT3B | |
| SCHEMBL8815944 | 0.79 | KLKB1 (0.71) | KLKB1CTSBMMP9DNMT1DNMT3B | |
| SCHEMBL3846227 | 0.79 | KLKB1 (0.71) | KLKB1CTSBMMP9DNMT1DNMT3B | |
| SCHEMBL7257652 | 0.79 | MRGPRX4 (0.51) | LCKALDH1A1KDM4EHPGDTDP1 | |
| SCHEMBL160646 | 0.79 | KLKB1 (1.00) | KLKB1CTSBMMP9DNMT1DNMT3B | |
| SCHEMBL29414416 | 0.79 | KLKB1 (1.00) | KLKB1CTSBMMP9DNMT1DNMT3B | |
| SCHEMBL10950033 | 0.79 | LCK (0.89) | KLKB1CTSBMMP9DNMT1DNMT3B | |
| SCHEMBL4878532 | 0.77 | KLKB1 (0.74) | KLKB1CTSBMMP9DNMT1DNMT3B |
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-1867554-B | Piperazine with ortho-substituted phenyl and its use as GLYT1 inhibitors | HOFFMANN LA ROCHE | 2011-07-06 | — | — | CN | disclosed |
| CN-1867554-A | Piperazine with ortho-substituted phenyl and its use as GLYT1 inhibitors | HOFFMANN LA ROCHE (CH) | 2006-11-22 | — | — | CN | disclosed |