Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 3/20 | 0.39 |
| ▸ | CCND1 | P24385 | 3/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7002275 | 0.81 | SMN1; SMN2 (0.40) | CDK4CCND1HDAC6CYP4F2CYP4A11 | |
| SCHEMBL13460050 | 0.78 | KMT2A (0.52) | CDK4CCND1HDAC6HDAC1MLYCD | |
| SCHEMBL826081 | 0.75 | ALDH1A1 (0.45) | OPRM1OPRD1OPRK1 | |
| SCHEMBL13069798 | 0.75 | KMT2A (0.55) | CDK4CCND1HDAC6HDAC3HDAC4 | |
| SCHEMBL11335716 | 0.71 | HDAC6 (0.52) | CDK4CCND1HDAC6HDAC3HDAC4 | |
| Trimethylammonium SCHEMBL27464694 | 0.71 | ALDH1A1 (0.45) | — | |
| SCHEMBL6988130 | 0.71 | TSHR (0.56) | — | |
| SCHEMBL6774327 | 0.70 | CA1 (0.50) | ITGB3ITGA2B | |
| SCHEMBL12221051 | 0.70 | GSR (0.56) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL15903990 | 0.70 | HDAC6 (0.42) | HDAC6ITGB3ITGA2BHDAC3HDAC4 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0915881-B1 | PYRROLOAZEPINE COMPOUNDS | SUNTORY LTD (JP) | 2003-01-08 | — | — | EP | disclosed |
| CN-1094126-C | Pyrroloazepine compounds | SUNTORY LTD (JP) | 2002-11-13 | — | — | CN | disclosed |
| US-6211362-B1 | CHEMICAL INTERMEDIATE FOR DRUGS | SUNTORY LIMITED (JP) | 2001-04-03 | — | — | US | disclosed |
| US-6187772-B1 | Pyrroloazepine compounds | SUNTORY LIMITED (JP) | 2001-02-13 | — | — | US | disclosed |
| EP-1071427-A1 | INTERMITTENT CLAUDICATION THERAPEUTIC DRUGS COMPRISING PYRROLOAZEPINES | SUNTORY LIMITED (JP) | 2001-01-31 | — | — | EP | disclosed |
| WO-2000048602-A1 | INTERMITTENT CLAUDICATION THERAPEUTIC DRUGS COMPRISING PYRROLOAZEPINES | SUNTORY LIMITED (JP) | 2000-08-24 | — | — | WO | disclosed |
| CN-1219173-A | Pyrroloazepine compounds | SUNTORY LTD (JP) | 1999-06-09 | — | — | CN | disclosed |
| EP-0915881-A1 | PYRROLOAZEPINE COMPOUNDS | SUNTORY LIMITED (JP) | 1999-05-19 | — | — | EP | disclosed |
| WO-1998041527-A1 | PYRROLOAZEPINE COMPOUNDS | SUNTORY LIMITED (JP) | 1998-09-24 | — | — | WO | disclosed |