Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | IGF1R | P08069 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | AGXT | P21549 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9764482 | 1.00 | KCNH2 (0.54) | KCNH2CYP1A2CYP2A6TAAR1TDP1 | |
| SCHEMBL10465525 | 0.93 | KCNH2 (0.46) | KCNH2CYP1A2CYP2A6TAAR1TDP1 | |
| SCHEMBL9574312 | 0.86 | KCNH2 (0.43) | KCNH2TAAR1TDP1L3MBTL1THRA | |
| SCHEMBL9574215 | 0.86 | KCNH2 (0.43) | KCNH2TAAR1TDP1L3MBTL1THRA | |
| SCHEMBL9574271 | 0.83 | TDP1 (0.55) | TAAR1TDP1L3MBTL1IGF1RALOX15 | |
| SCHEMBL9764497 | 0.83 | TDP1 (0.55) | TAAR1TDP1L3MBTL1IGF1RALOX15 | |
| SCHEMBL8750399 | 0.83 | KCNH2 (0.53) | KCNH2CYP1A2CYP2A6TAAR1TDP1 | |
| SCHEMBL9008786 | 0.82 | KCNH2 (0.59) | KCNH2CYP1A2CYP2A6TAAR1TDP1 | |
| SCHEMBL9574248 | 0.82 | TAAR1 (0.39) | KCNH2TAAR1AGXTCHRM2IDO1 | |
| SCHEMBL9262163 | 0.81 | TDP1 (0.50) | TDP1L3MBTL1HRH3IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5243076-A | Adrenergic stimulant intermediates | GLAXO GROUP LTD. | 1993-09-07 | — | — | US | disclosed |
| US-5225445-A | Respiratory system disorders | GLAXO GROUP LTD. | 1993-07-06 | — | — | US | disclosed |
| US-5126375-A | Asthma, chronic bronchitis | GLAXO GROUP LTD. (GB) | 1992-06-30 | — | — | US | disclosed |
| US-5091422-A | Treating inflammatory or allergic skin disease, lowering gastric acidity | GLAXO GROUP LIMITED (GB) | 1992-02-25 | — | — | US | disclosed |
| US-4992474-A | Adrenergic stimulants | GLAXO GROUP LTD. (GB) | 1991-02-12 | — | — | US | disclosed |