Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 4/20 | 0.56 |
| ▸ | RECQL | P46063 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.56 |
| ▸ | GFER | P55789 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | NPC1 | O15118 | 5/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | TTR | P02766 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL19626573 | 0.85 | GAA (0.50) | GAARECQLALDH1A1KDM4EPOLB | |
| SCHEMBL6568642 | 0.81 | CNR2 (0.43) | GAARECQLALDH1A1KDM4EPOLB | |
| SCHEMBL1765095 | 0.79 | MAPT (0.60) | GAARECQLALDH1A1KDM4EPOLB | |
| SCHEMBL4216352 | 0.76 | CNR2 (0.61) | GAARECQLALDH1A1KDM4EPOLB | |
| SCHEMBL6568655 | 0.76 | CNR2 (0.50) | GAARECQLALDH1A1KDM4EPOLB | |
| SCHEMBL1764772 | 0.75 | RECQL (0.58) | GAARECQLALDH1A1KDM4EPOLB | |
| SCHEMBL19626486 | 0.75 | ABL1 (0.59) | GAARECQLALDH1A1KDM4EPOLB | |
| SCHEMBL3242326 | 0.75 | TTR (0.41) | GAARECQLKDM4EPOLBMAPT | |
| SCHEMBL6568646 | 0.73 | KDM4E (0.61) | GAAALDH1A1KDM4EPOLBMAPT | |
| SCHEMBL21230568 | 0.73 | GAA (0.53) | GAARECQLALDH1A1KDM4EPOLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1402887-A1 | New compounds for the inhibition of undesired cell proliferation and use thereof | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| EP-1402888-A1 | The use of substituted carbocyclic compounds as rotamases inhibitors | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |