Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.44 |
| ▸ | PARP1 | P09874 | 5/20 | 0.40 |
| ▸ | PARP2 | Q9UGN5 | 4/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.33 |
| ▸ | CSNK2A1 | P68400 | 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 | |
|---|---|---|---|---|
| SCHEMBL8818631 | 0.91 | ACHE (0.42) | ACHEPARP1PARP2MAPTTP53 | |
| SCHEMBL8818593 | 0.89 | ACHE (0.46) | ACHEPARP1PTPN1MAPTTP53 | |
| SCHEMBL8079418 | 0.88 | PARP1 (0.41) | ACHEPARP1PARP2MAPTTP53 | |
| SCHEMBL8814859 | 0.88 | ACHE (0.47) | ACHEPARP1LTA4HADORA2AADORA1 | |
| SCHEMBL8817603 | 0.88 | ACHE (0.42) | ACHEPARP1PTPN1MAPTTP53 | |
| SCHEMBL8817594 | 0.86 | PARP1 (0.40) | PARP1PARP2MAPTTP53KDM4E | |
| SCHEMBL8817108 | 0.85 | ACHE (0.48) | ACHEPARP1MAPTKDM4EALDH1A1 | |
| SCHEMBL8817564 | 0.82 | ACHE (0.44) | ACHEPARP1ADORA2AADORA1 | |
| SCHEMBL8818853 | 0.81 | PARP1 (0.58) | PARP1PARP2MAPTTP53KDM4E | |
| SCHEMBL8814849 | 0.79 | PARP1 (0.49) | PARP1PARP2MAPTTP53KDM4E |
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 |