Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | RIPK1 | Q13546 | 11/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1562671 | 0.76 | PARP1 (0.49) | PARP1RIPK1ALDH1A1HPGDHSD17B10 | |
| SCHEMBL11064470 | 0.76 | PARP1 (0.53) | PARP1RIPK1ALDH1A1HPGDHSD17B10 | |
| SCHEMBL1562673 | 0.76 | PARP1 (0.49) | PARP1RIPK1ALDH1A1HPGDHSD17B10 | |
| Trifluoroacetic Acid SCHEMBL4803583 | 0.75 | RIPK1 (0.43) | PARP1RIPK1ALDH1A1HPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL2235597 | 0.74 | PARP1 (0.47) | PARP1RIPK1ALDH1A1HPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL2235593 | 0.74 | PARP1 (0.47) | PARP1RIPK1ALDH1A1HPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL4797679 | 0.74 | PARP1 (0.47) | PARP1RIPK1ALDH1A1HPGDHSD17B10 | |
| SCHEMBL15956826 | 0.73 | RIPK1 (0.49) | PARP1RIPK1ALDH1A1HPGDHSD17B10 | |
| SCHEMBL31336705 | 0.72 | CYP19A1 (0.54) | — | |
| SCHEMBL19880697 | 0.72 | RIPK1 (0.51) | PARP1RIPK1ALDH1A1HPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| JP-62201875-A | — | — | None | — | — | JP | disclosed |
| JP-S62201875-A | OPTICALLY ACTIVE BENZAZEPINE DERIVATIVE | NIPPON HARON KK | 1987-09-05 | — | — | JP | disclosed |