Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 13/20 | 0.54 |
| ▸ | PARP2 | Q9UGN5 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | JUND | P17535 | 1/20 | 0.37 |
| ▸ | FOSB | P53539 | 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 | |
|---|---|---|---|---|
| SCHEMBL7966174 | 0.82 | PARP1 (0.54) | PARP1PARP2CDK1CDK9 | |
| SCHEMBL7965946 | 0.80 | CDK1 (0.40) | PARP1CDK1CDK9HTR2CJUND | |
| SCHEMBL7215446 | 0.78 | PARP1 (0.61) | PARP1PARP2ALDH1A1POLBMAPT | |
| SCHEMBL6872238 | 0.78 | PARP1 (0.68) | PARP1PARP2 | |
| SCHEMBL7956612 | 0.77 | PARP1 (0.57) | PARP1PARP2ALDH1A1POLBMAPT | |
| SCHEMBL5201219 | 0.76 | PARP1 (0.55) | PARP1PARP2ALDH1A1POLBMAPT | |
| SCHEMBL6871409 | 0.76 | PARP1 (0.56) | PARP1PARP2 | |
| SCHEMBL6129581 | 0.75 | PARP1 (0.65) | PARP1PARP2ALDH1A1POLBMAPT | |
| SCHEMBL6872911 | 0.75 | PARP1 (0.61) | PARP1PARP2 | |
| SCHEMBL3972140 | 0.74 | PARP1 (0.49) | PARP1PARP2ALDH1A1POLBMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-6303627-B1 | FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS | ELI LILLY AND COMPANY | 2001-10-16 | — | — | US | disclosed |
| EP-0965587-A1 | Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake | ELI LILLY AND COMPANY (US) | 1999-12-22 | — | — | EP | disclosed |