Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.57 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.50 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.46 |
| ▸ | IDH1 | O75874 | 2/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.45 |
| ▸ | DHFR | P00374 | 1/20 | 0.45 |
| ▸ | MMP13 | P45452 | 2/20 | 0.45 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.44 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.44 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.44 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | AGXT | P21549 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27697818 | 0.84 | PARP1 (0.57) | PARP1GPR52MTNR1AMTNR1BDHFR | |
| SCHEMBL5648684 | 0.79 | CNR2 (0.52) | IDH1CNR2CNR1GPR55DHFR | |
| SCHEMBL8993225 | 0.78 | IDH1 (0.47) | MTNR1AMTNR1BIDH1CNR2CNR1 | |
| SCHEMBL28139166 | 0.77 | KDM4E (0.52) | PARP1GPR52DHFRNR3C2IDO1 | |
| SCHEMBL6713614 | 0.76 | PARP1 (0.61) | PARP1MTNR1AMTNR1BNR3C2PRKCZ | |
| SCHEMBL5646180 | 0.76 | ANO1 (0.50) | IDH1CNR2CNR1GPR55DHFR | |
| SCHEMBL1568251 | 0.75 | PARP1 (0.56) | PARP1GPR52DHFRMMP13NR3C2 | |
| SCHEMBL8993136 | 0.75 | CNR2 (0.46) | MTNR1AMTNR1BIDH1CNR2CNR1 | |
| SCHEMBL28805300 | 0.75 | PARP1 (0.55) | PARP1GPR52MTNR1AMTNR1BMMP13 | |
| SCHEMBL283787 | 0.75 | PARP1 (1.00) | PARP1CA1CA2PARP10PARP2 |
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-105358547-B | Phenylpyrazole derivatives as ROCK1 and ROCK2 inhibitor | 百时美施贵宝公司 | 2018-04-03 | — | — | CN | disclosed |
| CN-105358547-A | Phenylpyrazole derivatives as potent rock1 and rock2 inhibitors | BRISTOL MYERS SQUIBB CO | 2016-02-24 | — | — | CN | disclosed |