Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 7/20 | 0.49 |
| ▸ | PARP2 | Q9UGN5 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.39 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.39 |
| ▸ | AMY1A | P0DUB6 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MGAM | O43451 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SI | P14410 | 1/20 | 0.38 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8818853 | 0.87 | PARP1 (0.58) | PARP1PARP2MAPTTP53KDM4E | |
| Hydrochloric Acid SCHEMBL8816567 | 0.85 | PARP1 (0.48) | PARP1MAPTTP53KDM4EALDH1A1 | |
| SCHEMBL8818638 | 0.85 | PARP1 (0.45) | PARP1PARP2MAPTTP53KDM4E | |
| SCHEMBL8818631 | 0.81 | ACHE (0.42) | PARP1PARP2MAPTTP53KDM4E | |
| SCHEMBL8079418 | 0.81 | PARP1 (0.41) | PARP1PARP2MAPTTP53KDM4E | |
| SCHEMBL8818857 | 0.80 | PTGES (0.44) | PARP1MAPTTP53KDM4EALDH1A1 | |
| SCHEMBL8817594 | 0.80 | PARP1 (0.40) | PARP1PARP2MAPTTP53KDM4E | |
| SCHEMBL8814888 | 0.79 | ACHE (0.44) | PARP1PARP2MAPTTP53KDM4E | |
| SCHEMBL8817564 | 0.78 | ACHE (0.44) | PARP1DHODHCHEK2 | |
| SCHEMBL8817577 | 0.77 | PARP1 (0.58) | 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 |