Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.53 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.53 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.53 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.48 |
| ▸ | GCGR | P47871 | 1/20 | 0.48 |
| ▸ | HSPB1 | P04792 | 2/20 | 0.45 |
| ▸ | PDE7A | Q13946 | 4/20 | 0.44 |
| ▸ | PTPRC | P08575 | 1/20 | 0.43 |
| ▸ | S100A4 | P26447 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27287106 | 0.80 | XDH (0.54) | TXNRD1TXNRD3TXNRD2ALDH1A1POLB | |
| SCHEMBL6201706 | 0.79 | HSPB1 (0.46) | MAPK14GCGRHSPB1PTPRCS100A4 | |
| SCHEMBL7660341 | 0.79 | ALDH1A1 (0.55) | MAPK14GCGRHSPB1PDE7APTPRC | |
| SCHEMBL31217501 | 0.75 | TXNRD1 (0.63) | TXNRD1TXNRD3TXNRD2PDE7AALDH1A1 | |
| SCHEMBL16013792 | 0.75 | HSD17B10 (0.55) | MAPK14GCGRHSPB1PTPRCS100A4 | |
| SCHEMBL9130852 | 0.75 | GCGR (0.43) | TXNRD1TXNRD3TXNRD2MAPK14GCGR | |
| SCHEMBL7656221 | 0.75 | ALDH1A1 (0.54) | MAPK14GCGRALDH1A1PTGS2CYP3A4 | |
| SCHEMBL2961612 | 0.74 | HSPB1 (0.67) | MAPK14GCGRHSPB1ALDH1A1POLB | |
| SCHEMBL4444791 | 0.74 | TXNRD1 (0.49) | TXNRD1TXNRD3TXNRD2HSPB1PDE7A | |
| SCHEMBL4446772 | 0.74 | TXNRD1 (0.49) | TXNRD1TXNRD3TXNRD2HSPB1PDE7A |
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 |