Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 6/20 | 0.40 |
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | PARP14 | Q460N5 | 3/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.34 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.34 |
| ▸ | TNKS | O95271 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3244198 | 0.93 | PARP1 (0.44) | PARP1PARP10KMOPARP14CES2 | |
| SCHEMBL30597930 | 0.93 | PARP1 (0.44) | PARP1PARP10KMOPARP14CES2 | |
| SCHEMBL18284064 | 0.77 | GRIA4 (0.39) | — | |
| SCHEMBL29615899 | 0.77 | HCAR1 (0.52) | KMOCES2CES1 | |
| SCHEMBL2407201 | 0.77 | HCAR1 (0.52) | KMOCES2CES1 | |
| SCHEMBL18878233 | 0.76 | PARP1 (0.48) | PARP1PARP2 | |
| SCHEMBL7077548 | 0.74 | PARP1 (0.60) | PARP1CES2CES1 | |
| SCHEMBL259315 | 0.74 | CES2 (0.62) | PARP1CES2CES1 | |
| SCHEMBL13406258 | 0.74 | ALDH1A1 (0.43) | KMOOPRK1CYP2C9HDAC1HDAC8 | |
| SCHEMBL17175645 | 0.74 | FAAH (0.59) | PARP1PARP10KMOOPRM1OPRD1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8207347-B2 | Pyridone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2012-06-26 | — | — | US | disclosed |