Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | DRD5 | P21918 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | DHODH | Q02127 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.43 |
| ▸ | SYK | P43405 | 1/20 | 0.42 |
| ▸ | EDNRB | P24530 | 1/20 | 0.41 |
| ▸ | EDNRA | P25101 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | JAK1 | P23458 | 1/20 | 0.41 |
| ▸ | RUNX1 | Q01196 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8078747 | 0.93 | LTA4H (0.47) | DRD1DRD4DRD5LTA4HACHE | |
| SCHEMBL8079672 | 0.92 | ACHE (0.46) | DRD1DRD4DRD5LTA4HACHE | |
| SCHEMBL8814982 | 0.92 | LTA4H (0.46) | LTA4HACHERUNX1 | |
| SCHEMBL8079505 | 0.92 | ACHE (0.46) | DRD1DRD4DRD5LTA4HACHE | |
| SCHEMBL8071362 | 0.88 | DHODH (0.47) | DRD1DRD4DRD5LTA4HACHE | |
| SCHEMBL8817597 | 0.88 | ACHE (0.42) | ACHEDHODHADORA2ASYKEDNRB | |
| SCHEMBL8818817 | 0.85 | ACHE (0.53) | DRD1DRD4DRD5LTA4HACHE | |
| SCHEMBL8817590 | 0.83 | MAPT (0.42) | DHODH | |
| SCHEMBL8817574 | 0.83 | MAPT (0.42) | DHODH | |
| SCHEMBL8818551 | 0.82 | MAPT (0.47) | DHODHEDNRBEDNRANPC1RAB9A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2000506529-A | — | — | 2000-05-30 | — | — | JP | claimed |
| WO-1997033873-A1 | METHODS OF TREATING OR PREVENTING INTERSTITIAL CYSTITIS | ELI LILLY AND COMPANY (US) | 1997-09-18 | — | — | WO | claimed |
| WO-1997031635-A1 | METHODS OF TREATING OR PREVENTING SLEEP APNEA | ELI LILLY AND COMPANY (US) | 1997-09-04 | — | — | WO | claimed |
| 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 |