Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGXT | P21549 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.45 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.45 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | GLS | O94925 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.36 |
| ▸ | IDH1 | O75874 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9587702 | 0.85 | CYP2A6 (0.53) | AGXTCYP2A6ASIC3LOXL2ADRB2 | |
| SCHEMBL48281 | 0.82 | CYP2A6 (0.56) | AGXTCYP2A6ASIC3LOXL2ADRB2 | |
| SCHEMBL48175 | 0.82 | AGXT (0.47) | AGXTCYP2A6ASIC3LOXL2ADRB2 | |
| SCHEMBL4283571 | 0.81 | CYP2A6 (0.56) | AGXTCYP2A6ASIC3LOXL2ADRB2 | |
| SCHEMBL2089869 | 0.78 | AGXT (0.46) | AGXTCYP2A6ASIC3LOXL2ADRB2 | |
| SCHEMBL4047968 | 0.78 | CYP2A6 (0.60) | AGXTCYP2A6ASIC3LOXL2ADRB2 | |
| SCHEMBL2095290 | 0.75 | AGXT (0.49) | AGXTCYP2A6ASIC3LOXL2ADRB2 | |
| SCHEMBL9510811 | 0.74 | AGXT (0.45) | AGXTLOXL2GLSHDAC3HDAC4 | |
| SCHEMBL9510780 | 0.74 | AGXT (0.45) | AGXTLOXL2GLSHDAC3HDAC4 | |
| SCHEMBL2095661 | 0.73 | CYP2A6 (0.55) | AGXTCYP2A6ASIC3LOXL2ADRB2 |
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 |