Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 3/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | GRIA1 | P42261 | 3/20 | 0.34 |
| ▸ | CACNG8 | Q8WXS5 | 3/20 | 0.34 |
| ▸ | CACNG2 | Q9Y698 | 1/20 | 0.34 |
| ▸ | DDB1 | Q16531 | 2/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.33 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.33 |
| ▸ | PARP11 | Q9NR21 | 2/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CCR3 | P51677 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10912135 | 0.90 | SRC (0.56) | SRCOPRM1KDM4EHTR2CHTR2B | |
| SCHEMBL31238797 | 0.77 | CES1 (0.40) | SRCKDM4EHTR2CHTR2BHTR2A | |
| SCHEMBL4795981 | 0.77 | SRC (0.47) | SRCPARP1 | |
| SCHEMBL25209388 | 0.77 | CES1 (0.40) | SRCKDM4EHTR2CHTR2BHTR2A | |
| SCHEMBL21225396 | 0.75 | SRC (0.39) | SRCHTR2APARP10PARP11PARP1 | |
| SCHEMBL18355372 | 0.73 | SRC (0.56) | SRCPARP1KCNH2 | |
| SCHEMBL31158661 | 0.72 | NOTUM (0.37) | KDM4EHTR2CHTR2BHTR2AGRIA1 | |
| SCHEMBL12475573 | 0.72 | NOTUM (0.37) | KDM4EHTR2CHTR2BHTR2AGRIA1 | |
| SCHEMBL4718545 | 0.72 | SRC (0.44) | SRCHTR2CHTR2BPARP10PARP11 | |
| SCHEMBL27846115 | 0.72 | SRC (0.44) | SRCHTR2CPARP10PARP11PDPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105073741-A | Phthalazinones and isoquinolinones as rock inhibitors | BRISTOL MYERS SQUIBB CO | 2015-11-18 | — | — | CN | disclosed |