Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.68 |
| ▸ | CFTR | P13569 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | SRC | P12931 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALPL | P05186 | 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 | |
|---|---|---|---|---|
| SCHEMBL8636618 | 0.85 | CYP2C9 (0.54) | CYP2C9CYP2C19CFTRTDP1L3MBTL1 | |
| SCHEMBL8636616 | 0.85 | CYP2C9 (0.50) | CYP2C9CYP2C19CFTRALDH1A1KMT2A | |
| SCHEMBL8757980 | 0.82 | CYP2C9 (0.51) | CYP2C9CYP2C19POLB | |
| SCHEMBL8757958 | 0.82 | CYP2C9 (0.47) | CYP2C9CYP2C19CFTR | |
| SCHEMBL8634980 | 0.81 | CYP2C9 (0.46) | CYP2C9CYP2C19CFTRL3MBTL1ALDH1A1 | |
| SCHEMBL8634990 | 0.81 | CYP2C9 (0.50) | CYP2C9CYP2C19CFTRL3MBTL1ALDH1A1 | |
| SCHEMBL17488929 | 0.81 | CFTR (0.64) | CYP2C9CYP2C19CFTRTDP1L3MBTL1 | |
| Phenoxymethylphosphonate SCHEMBL274327 | 0.81 | CYP2C9 (0.76) | CYP2C9CYP2C19SRCALDH1A1ALOX15 | |
| SCHEMBL11295812 | 0.79 | CFTR (0.61) | CYP2C9CYP2C19CFTRTDP1L3MBTL1 | |
| SCHEMBL8732233 | 0.79 | ADRB3 (0.48) | CYP2C9CYP2C19ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0772585-A1 | ARYLOXY AND ARYLTHIOPROPANOLAMINE DERIVATIVES USEFUL AS BETA 3-ADRENORECEPTOR AGONISTS AND ANTAGONISTS OF THE BETA 1 AND BETA 2-ADRENORECEPTORS AND PHARMACEUTICAL COMPOSITION THEREOF | SMITHKLINE BEECHAM PLC (GB) | 1997-05-14 | — | — | EP | disclosed |
| WO-1996004233-A1 | ARYLOXY AND ARYLTHIOPROPANOLAMINE DERIVATIVES USEFUL AS BETA 3-ADRENORECEPTOR AGONISTS AND ANTAGONISTS OF THE BETA 1 AND BETA 2-ADRENORECEPTORS AND PHARMACEUTICAL COMPOSITION THEREOF | SMITHKLINE BEECHAM PLC (GB) | 1996-02-15 | — | — | WO | disclosed |