Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGB1 | P09429 | 1/20 | 0.54 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.54 |
| ▸ | CTH | P32929 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | GSK3B | P49841 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.41 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9862861 | 0.85 | GSK3B (0.52) | KMT2AGSK3BMEN1NPC1ALDH1A1 | |
| SCHEMBL4318330 | 0.84 | PTPN1 (0.45) | HMGB1CXCL12GSK3BALDH1A1HPGD | |
| SCHEMBL11620046 | 0.81 | HMGB1 (0.53) | HMGB1CXCL12CTHKMT2AMEN1 | |
| SCHEMBL16056966 | 0.79 | GSK3B (0.55) | GSK3BALDH1A1PTPN1 | |
| SCHEMBL13645730 | 0.79 | GSK3B (0.46) | KMT2AGSK3BMEN1NPC1ALDH1A1 | |
| SCHEMBL454210 | 0.78 | HMGB1 (0.56) | HMGB1CXCL12CTHKMT2AALDH1A1 | |
| SCHEMBL10420496 | 0.78 | HMGB1 (0.53) | HMGB1CXCL12CTHKMT2AMEN1 | |
| SCHEMBL334660 | 0.76 | HSD17B3 (0.50) | HMGB1CXCL12CTHKMT2AMEN1 | |
| SCHEMBL9385176 | 0.75 | HMGB1 (0.46) | HMGB1CXCL12CTHKMT2AMEN1 | |
| SCHEMBL11956604 | 0.75 | GSK3B (0.54) | KMT2AGSK3BMEN1NPC1ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0322164-B1 | ETHANOLAMINE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 1993-09-22 | — | — | EP | disclosed |
| US-5039697-A | Adrenergic stimulants, bronchodilators | GLAXO GROUP LIMITED (GB) | 1991-08-13 | — | — | US | disclosed |
| US-5032609-A | Ethanolamine derivatives | GLAXO GROUP LIMITED (GB) | 1991-07-16 | — | — | US | disclosed |
| US-5002966-A | Adrenergic Stimulants | GLAXO GROUP LIMITED (GB) | 1991-03-26 | — | — | US | disclosed |
| EP-0322164-A2 | Ethanolamine derivatives | GLAXO GROUP LIMITED (GB) | 1989-06-28 | — | — | EP | disclosed |