Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.65 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.51 |
| ▸ | BRD4 | O60885 | 1/20 | 0.51 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1562440 | 1.00 | PARP1 (0.65) | PARP1CREBBPBRD4BRPF1ALDH1A1 | |
| SCHEMBL4800956 | 1.00 | PARP1 (0.65) | PARP1CREBBPBRD4BRPF1ALDH1A1 | |
| SCHEMBL1562544 | 1.00 | PARP1 (0.65) | PARP1CREBBPBRD4BRPF1ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL4800639 | 0.88 | PARP1 (0.51) | PARP1CREBBPBRD4ALDH1A1HPGD | |
| Trifluoroacetic Acid SCHEMBL4799215 | 0.88 | PARP1 (0.51) | PARP1CREBBPBRD4ALDH1A1HPGD | |
| SCHEMBL1561796 | 0.80 | PARP1 (0.55) | PARP1CREBBPBRD4ALDH1A1HPGD | |
| SCHEMBL1562701 | 0.80 | PARP1 (0.55) | PARP1CREBBPBRD4ALDH1A1HPGD | |
| SCHEMBL15594303 | 0.80 | BRD4 (0.41) | PARP1CREBBPBRD4HSD17B10GAA | |
| SCHEMBL13273256 | 0.79 | PARP1 (0.62) | PARP1CREBBPBRD4BRPF1ALDH1A1 | |
| SCHEMBL1451025 | 0.79 | PARP1 (1.00) | PARP1CREBBPBRD4BRPF1ALDH1A1 |
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-5618808-A | Benzothiazepine and benzoxazepine derivatives as cholecystokinin receptor antagonists | PFIZER, INC. (US) | 1997-04-08 | — | — | US | disclosed |
| EP-0648213-A1 | BENZOTHIAZEPINE AND BENZOXAZEPINE DERIVATIVES AS CHOLECYSTOKININ RECEPTOR ANTAGONISTS | PFIZER INC. (US) | 1995-04-19 | — | — | EP | disclosed |
| WO-1994001421-A1 | BENZOTHIAZEPINE AND BENZOXAZEPINE DERIVATIVES AS CHOLECYSTOKININ RECEPTOR ANTAGONISTS | PFIZER INC. (US) | 1994-01-20 | — | — | WO | disclosed |