Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 6/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | RUNX1 | Q01196 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.38 |
| ▸ | BRD4 | O60885 | 2/20 | 0.38 |
| ▸ | IL17A | Q16552 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8891808 | 1.00 | ACHE (0.43) | ACHELTA4HPTGS2DHODHPARP1 | |
| SCHEMBL8892025 | 0.99 | ACHE (0.42) | ACHELTA4HPTGS2DHODHPARP1 | |
| SCHEMBL8084233 | 0.96 | DHODH (0.42) | ACHEDHODHPARP1MEN1KMT2A | |
| SCHEMBL8817597 | 0.92 | ACHE (0.42) | ACHEDHODHMEN1KMT2ARUNX1 | |
| SCHEMBL8817564 | 0.88 | ACHE (0.44) | ACHEDHODHPARP1ADORA2ABRD4 | |
| SCHEMBL8079672 | 0.87 | ACHE (0.46) | ACHELTA4HDHODHPARP1RUNX1 | |
| SCHEMBL8079505 | 0.87 | ACHE (0.46) | ACHELTA4HDHODHPARP1RUNX1 | |
| SCHEMBL8078747 | 0.86 | LTA4H (0.47) | ACHELTA4HDHODHPARP1RUNX1 | |
| SCHEMBL8079568 | 0.86 | ACHE (0.46) | ACHELTA4HPTGS2DHODHPARP1 | |
| SCHEMBL8817619 | 0.85 | ACHE (0.40) | ACHEPARP1MEN1KMT2AADORA2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997033873-A1 | METHODS OF TREATING OR PREVENTING INTERSTITIAL CYSTITIS | ELI LILLY AND COMPANY (US) | 1997-09-18 | — | — | WO | disclosed |