Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGB1 | P09429 | 1/20 | 0.46 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.42 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.42 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CD38 | P28907 | 1/20 | 0.41 |
| ▸ | SHBG | P04278 | 1/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.41 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 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 | |
|---|---|---|---|---|
| SCHEMBL926494 | 0.86 | HMGB1 (0.60) | HMGB1CXCL12PTPN1PTPN2PTPN6 | |
| SCHEMBL30100451 | 0.79 | TSHR (0.51) | ALDH1A1HPGDTSHRKDM4EMAPT | |
| SCHEMBL4977141 | 0.78 | KDM4E (0.49) | ALDH1A1HPGDTSHRKDM4EHSD17B10 | |
| SCHEMBL1004028 | 0.78 | TSHR (0.58) | PTPN1PTPN2PTPN6ALDH1A1HPGD | |
| SCHEMBL7134588 | 0.77 | TSHR (0.54) | ALDH1A1HPGDTSHRKDM4EMAPT | |
| SCHEMBL1535770 | 0.77 | CALM1 (0.52) | ALDH1A1HPGDTSHRKDM4EMAPT | |
| SCHEMBL5723934 | 0.77 | KEAP1 (0.56) | ALDH1A1HPGDTSHRKDM4EMAPT | |
| SCHEMBL12323449 | 0.77 | PKM (0.46) | HMGB1CXCL12ALDH1A1HPGDKDM4E | |
| SCHEMBL4065746 | 0.76 | HSPA5 (0.56) | ALDH1A1MAPTHSD17B10SHBGALK | |
| Hydrochloric Acid SCHEMBL15690391 | 0.76 | TSHR (0.56) | PTPN1PTPN2PTPN6ALDH1A1HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1633715-B1 | 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS | PFIZER LTD (GB) | 2007-09-05 | — | — | EP | disclosed |