Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPB1 | P04792 | 3/20 | 0.46 |
| ▸ | GCGR | P47871 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.46 |
| ▸ | PTPRC | P08575 | 3/20 | 0.44 |
| ▸ | S100A4 | P26447 | 2/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2802530 | 0.83 | GABRP (0.46) | PTPRCS100A4PTGS1ALDH1A1POLB | |
| SCHEMBL10508753 | 0.83 | PTGS2 (0.55) | PTPRCS100A4ALDH1A1POLBPTGS2 | |
| SCHEMBL7660341 | 0.80 | ALDH1A1 (0.55) | HSPB1GCGRMAPK14PTPRCS100A4 | |
| SCHEMBL6201702 | 0.79 | TXNRD1 (0.53) | HSPB1GCGRMAPK14PTPRCS100A4 | |
| SCHEMBL16013792 | 0.77 | HSD17B10 (0.55) | HSPB1GCGRMAPK14PTPRCS100A4 | |
| SCHEMBL9130852 | 0.76 | GCGR (0.43) | HSPB1GCGRMAPK14PTPRCS100A4 | |
| SCHEMBL7656221 | 0.76 | ALDH1A1 (0.54) | GCGRMAPK14ALDH1A1PTGS2CYP3A4 | |
| SCHEMBL2961612 | 0.76 | HSPB1 (0.67) | HSPB1GCGRMAPK14PTGS1ALDH1A1 | |
| SCHEMBL2036497 | 0.74 | ALDH1A1 (0.57) | HSPB1PTPRCS100A4ALDH1A1HIF1A | |
| SCHEMBL31554518 | 0.74 | ALDH1A1 (0.57) | HSPB1PTPRCS100A4ALDH1A1HIF1A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1196417-B8 | 1,2,3,4,5,6-HEXAHYDROAZEPINO 4,5-b]INDOLES CONTAINING ARYLSULFONES AT THE 9-POSITION | PHARMACIA & UPJOHN CO LLC (US) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004096809-A1 | 1,2,3,4,5,6-HEXAHYDROAZEPINO[4,5-B]INDOLES CONTAINING ARYLSULFONES AT THE 9-POSITION | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-11-11 | — | — | WO | disclosed |
| EP-1196417-A1 | 1,2,3,4,5,6-HEXAHYDROAZEPINO 4,5-b]INDOLES CONTAINING ARYLSULFONES AT THE 9-POSITION | PHARMACIA & UPJOHN COMPANY (US) | 2002-04-17 | — | — | EP | disclosed |
| WO-2001005793-A1 | 1,2,3,4,5,6-HEXAHYDROAZEPINO[4,5-b]INDOLES CONTAINING ARYLSULFONES AT THE 9-POSITION | PHARMACIA & UPJOHN COMPANY (US) | 2001-01-25 | — | — | WO | disclosed |