Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CDC25B | P30305 | 1/20 | 0.37 |
| ▸ | CASP6 | P55212 | 1/20 | 0.37 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GFER | P55789 | 2/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28431565 | 0.89 | XDH (0.40) | ALDH1A1CDC25BCASP6RCE1PARP1 | |
| SCHEMBL6568411 | 0.87 | SMN1; SMN2 (0.38) | PARP1KDM4EGFERSMN1; SMN2FABP4 | |
| SCHEMBL11125642 | 0.83 | XDH (0.40) | ALDH1A1GFERSMN1; SMN2FABP4XDH | |
| SCHEMBL7975490 | 0.78 | CYP1A2 (0.44) | ALDH1A1CDC25BCASP6RCE1KMT2A | |
| SCHEMBL7391414 | 0.78 | RXRA (0.39) | ALDH1A1KMT2AKDM4EMEN1MAPT | |
| SCHEMBL6955443 | 0.76 | KDM4E (0.42) | ALDH1A1CDC25BCASP6RCE1KMT2A | |
| SCHEMBL9868328 | 0.76 | SMN1; SMN2 (0.45) | ALDH1A1PARP1KMT2AKDM4EGFER | |
| SCHEMBL7387063 | 0.76 | ALDH1A1 (0.41) | ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2 | |
| SCHEMBL4882971 | 0.76 | KDM4E (0.41) | ALDH1A1CDC25BCASP6RCE1PARP1 | |
| SCHEMBL7327906 | 0.75 | PARP1 (0.37) | ALDH1A1CDC25BCASP6RCE1PARP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4924010-A | GASTROINTESTINAL DISORDERS | RORER PHARMACEUTICAL CORPORATION (US) | 1990-05-08 | — | — | US | disclosed |
| US-4859683-A | Certain benzoxepins and their pharmaceutical compositions and methods | RORER PHARMACEUTICAL CORPORATION (US) | 1989-08-22 | — | — | US | disclosed |
| US-4857517-A | Quinuclidyl benzoxepins as 5-HT3 antagonists | RORER PHARMACEUTICAL CORPORATION (US) | 1989-08-15 | — | — | US | disclosed |