Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | PTPN2 | P17706 | 6/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 6/20 | 0.44 |
| ▸ | PTPN6 | P29350 | 6/20 | 0.44 |
| ▸ | PTPN11 | Q06124 | 6/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP12 | P39900 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10390471 | 0.81 | PLA2G4B (0.54) | TSHRALDH1A1ESR1CHRM1SLC6A2 | |
| SCHEMBL9763616 | 0.81 | HRH3 (0.39) | ALDH1A1NPC1MAPTRAB9ALMNA | |
| SCHEMBL9763284 | 0.81 | GPR119 (0.39) | ALDH1A1PTPN2PTPN1PTPN6PTPN11 | |
| SCHEMBL9763014 | 0.79 | ALDH1A1 (0.51) | TSHRALDH1A1ESR1CHRM1SLC6A2 | |
| SCHEMBL9763584 | 0.79 | ALDH1A1 (0.51) | TSHRALDH1A1ESR1CHRM1SLC6A2 | |
| SCHEMBL10488165 | 0.76 | CYP3A4 (0.36) | PTPN2PTPN1PTPN6PTPN11MMP2 | |
| SCHEMBL10464556 | 0.75 | PTPN2 (0.40) | CHRM1PTPN2PTPN1PTPN6PTPN11 | |
| SCHEMBL17350477 | 0.75 | ALDH1A1 (0.69) | TSHRALDH1A1ESR1NPC1MAPT | |
| SCHEMBL10488159 | 0.74 | AR (0.45) | ALDH1A1KDRNPC1RAB9ALMNA | |
| SCHEMBL31284746 | 0.74 | TSHR (0.56) | TSHRALDH1A1ESR1NPC1MAPT |
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 |