Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.50 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | CNR2 | P34972 | 1/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 7/20 | 0.46 |
| ▸ | S1PR3 | Q99500 | 7/20 | 0.46 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.46 |
| ▸ | S1PR4 | O95977 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.43 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10477677 | 0.98 | AR (0.52) | ARSIGMAR1CNR1CNR2S1PR1 | |
| SCHEMBL9762923 | 0.96 | AR (0.52) | ARSIGMAR1CNR1CNR2S1PR1 | |
| SCHEMBL9763021 | 0.86 | AR (0.51) | ARSIGMAR1CNR1CNR2S1PR1 | |
| SCHEMBL9762627 | 0.83 | SIGMAR1 (0.52) | ARSIGMAR1CNR1CNR2S1PR1 | |
| SCHEMBL9763280 | 0.83 | SIGMAR1 (0.55) | ARSIGMAR1BCHEALDH1A1MEN1 | |
| SCHEMBL9763725 | 0.81 | DRD2 (0.51) | ARSIGMAR1HPGDBCHEALDH1A1 | |
| SCHEMBL10463959 | 0.81 | HPGD (0.50) | ARHPGDLMNAADRB2ADRB1 | |
| SCHEMBL456614 | 0.79 | SIGMAR1 (0.80) | SIGMAR1CNR1CNR2BCHE | |
| SCHEMBL10477931 | 0.79 | HPGD (0.50) | ARHPGDLMNAADRB2ADRB1 | |
| Bromide SCHEMBL7121198 | 0.78 | SIGMAR1 (0.77) | SIGMAR1CNR1CNR2BCHE |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4853382-A | TREATING ASTHMA AND BRONCHITIS | GLAXO GROUP LIMITED (GB) | 1989-08-01 | — | — | US | disclosed |
| EP-0178919-B1 | AMINOPHENOL DERIVATIVES | GLAXO GROUP LIMITED (GB) | 1988-12-21 | — | — | EP | disclosed |
| US-4730008-A | STIMULANT FOR BETA-ADRENORECEPTORS | GLAXO GROUP LIMITED (GB) | 1988-03-08 | — | — | US | disclosed |