Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | ADAMTS5 | Q9UNA0 | 4/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 2/20 | 0.43 |
| ▸ | TNKS | O95271 | 1/20 | 0.43 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL11346625 | 0.89 | ALDH1A1 (0.45) | ALDH1A1ADAMTS5ESR1PARP1NAMPT | |
| SCHEMBL11352649 | 0.87 | ALDH1A1 (0.51) | ALDH1A1ADAMTS5ESR1PARP1NAMPT | |
| SCHEMBL11234418 | 0.84 | TPSAB1 (0.46) | ADAMTS5ESR1PARP1NAMPTTPSAB1 | |
| SCHEMBL11349537 | 0.84 | MPO (0.56) | ALDH1A1 | |
| SCHEMBL11343261 | 0.83 | ALDH1A1 (0.45) | ALDH1A1ADAMTS5ESR1PARP1TNKS | |
| SCHEMBL11249534 | 0.83 | SIGMAR1 (0.50) | — | |
| SCHEMBL11344269 | 0.82 | ALDH1A1 (0.44) | ALDH1A1ADAMTS5ESR1PARP1NAMPT | |
| SCHEMBL11354008 | 0.81 | ALDH1A1 (0.47) | ALDH1A1ADAMTS5ESR1PARP1TNKS | |
| SCHEMBL11348088 | 0.81 | SPR (0.47) | ALDH1A1ADAMTS5ESR1PARP1NAMPT | |
| SCHEMBL11347533 | 0.80 | ALDH1A1 (0.55) | ALDH1A1ESR1TPSAB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4251538-A | Indolealkylamines and processes for their preparation | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1981-02-17 | — | — | US | disclosed |