Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8126374 | 0.82 | PARP1 (0.40) | PARP1KDM4EKMT2AIP6K1GFER | |
| SCHEMBL7332629 | 0.79 | HTR4 (0.41) | KDM4EPOLB | |
| SCHEMBL7332583 | 0.75 | LMNA (0.42) | PARP1KDM4EGFERALDH1A1MAPT | |
| SCHEMBL7334483 | 0.75 | ALDH1A1 (0.37) | PARP1KDM4EKMT2AIP6K1GFER | |
| SCHEMBL7415923 | 0.74 | KDM4E (0.36) | PARP1KDM4EKMT2AIP6K1GFER | |
| SCHEMBL7332542 | 0.73 | PARP1 (0.55) | PARP1KDM4EKMT2AIP6K1GFER | |
| SCHEMBL11956874 | 0.73 | PARP1 (0.37) | PARP1KDM4EKMT2AIP6K1GFER | |
| SCHEMBL28431565 | 0.72 | XDH (0.40) | PARP1KDM4EKMT2AIP6K1GFER | |
| SCHEMBL7975490 | 0.71 | CYP1A2 (0.44) | KDM4EKMT2AIP6K1GFERRXFP1 | |
| SCHEMBL8130845 | 0.70 | PARP1 (0.45) | PARP1KDM4EKMT2AIP6K1GFER |
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 |