Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.42 |
| ▸ | PARP1 | P09874 | 6/20 | 0.39 |
| ▸ | TYMP | P19971 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | RORA | P35398 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | RORB | Q92753 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL7648546 | 0.81 | ALDH1A1 (0.51) | HDAC1HDAC8HDAC6PARP1ALDH1A1 | |
| SCHEMBL7649548 | 0.79 | HDAC1 (0.46) | HDAC1HDAC8HDAC6PARP1TYMP | |
| SCHEMBL7656522 | 0.76 | PARP1 (0.44) | HDAC1HDAC8HDAC6PARP1TYMP | |
| SCHEMBL7656537 | 0.75 | HDAC1 (0.47) | HDAC1HDAC8HDAC6ALDH1A1PGR | |
| SCHEMBL7651942 | 0.75 | ALDH1A1 (0.53) | PARP1ALDH1A1HPGDKDM4EGAA | |
| SCHEMBL7653099 | 0.74 | HDAC1 (0.43) | HDAC1HDAC8HDAC6TYMP | |
| SCHEMBL7650175 | 0.70 | PARP1 (0.50) | PARP1TYMPALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL7651097 | 0.70 | MAPT (0.43) | PARP1MAPT | |
| SCHEMBL7310111 | 0.69 | MAOA (0.46) | HPGDKDM4ESMN1; SMN2PGRRORA | |
| SCHEMBL7648478 | 0.68 | HDAC1 (0.40) | HDAC1HDAC8HDAC6PARP1ALDH1A1 |
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-6407116-B1 | 2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE DERIVATIVES; ANTIALLERGENS, ANTIASTHMATICS, ANTIHISTAMINES, AND ANTIINFLAMMATORY AGENTS | TAKEDA CHEMICAL INDUSTRIES, INC. (JP) | 2002-06-18 | — | — | US | disclosed |
| EP-1026160-A1 | NITROGENOUS FUSED-RING COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME, AND DRUGS | Takeda Chemical Industries, Ltd. (JP) | 2000-08-09 | — | — | EP | disclosed |