Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.62 |
| ▸ | CNR2 | P34972 | 1/20 | 0.55 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.53 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.52 |
| ▸ | RAF1 | P04049 | 1/20 | 0.52 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.52 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.52 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.52 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.52 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8818566 | 0.88 | PARP1 (0.60) | PARP1CNR2NPBWR1MAPK13RAF1 | |
| SCHEMBL4457030 | 0.85 | DHODH (0.53) | PARP1CNR2KDM4ENPC1ALDH1A1 | |
| SCHEMBL230979 | 0.82 | DHODH (0.53) | PARP1CNR2CYP1A2NPC1RAB9A | |
| SCHEMBL31027957 | 0.82 | DHODH (0.59) | PARP1CNR2CYP1A2NPC1ALDH1A1 | |
| SCHEMBL1894334 | 0.82 | PARP1 (0.67) | PARP1NPBWR1MAPK13RAF1MAPK9 | |
| SCHEMBL7146754 | 0.81 | DHODH (0.62) | PARP1CNR2CYP1A2NPC1ALDH1A1 | |
| SCHEMBL1170898 | 0.81 | DHODH (0.54) | PARP1CNR2CYP1A2KDM4ENPC1 | |
| SCHEMBL8818583 | 0.81 | PARP1 (0.63) | PARP1CNR2MGAMGAASI | |
| SCHEMBL30235337 | 0.81 | MEN1 (0.52) | PARP1CNR2MAPK13RAF1MAPK9 | |
| SCHEMBL1891860 | 0.81 | PARP1 (0.80) | PARP1PIN1KDM4EHPGDDHODH |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997033873-A1 | METHODS OF TREATING OR PREVENTING INTERSTITIAL CYSTITIS | ELI LILLY AND COMPANY (US) | 1997-09-18 | — | — | WO | disclosed |
| WO-1997031635-A1 | METHODS OF TREATING OR PREVENTING SLEEP APNEA | ELI LILLY AND COMPANY (US) | 1997-09-04 | — | — | WO | disclosed |