Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL828951 | 0.93 | EGFR (0.47) | CYP1A2CYP2C9EGFRERBB2KDM4E | |
| SCHEMBL16898479 | 0.86 | EGFR (0.44) | CYP1A2CYP2C9EGFRERBB2KDM4E | |
| SCHEMBL6906905 | 0.85 | CA1 (0.50) | CYP2C9CA1CA2ALDH1A1KMT2A | |
| SCHEMBL18289524 | 0.85 | CA1 (0.50) | CYP2C9CA1CA2ALDH1A1KMT2A | |
| SCHEMBL5351657 | 0.81 | CA1 (0.51) | EGFRERBB2CA1CA2ALDH1A1 | |
| SCHEMBL18530411 | 0.80 | ALDH1A1 (0.45) | CA1CA2ALDH1A1KMT2AMEN1 | |
| SCHEMBL4824193 | 0.79 | FDFT1 (0.41) | CYP1A2CYP2C9EGFRERBB2KDM4E | |
| SCHEMBL948326 | 0.79 | CNR2 (0.56) | CYP2C9EGFRERBB2CA1CA2 | |
| SCHEMBL4432596 | 0.79 | CA1 (0.49) | CA1CA2ALDH1A1MAPTKMT2A | |
| SCHEMBL21524969 | 0.79 | CA1 (0.48) | CYP1A2RECQLCA1CA2ALDH1A1 |
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-1833822-A2 | COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | Theravance, Inc. (US) | 2007-09-19 | — | — | EP | disclosed |
| WO-2006023460-A2 | COMPOUNDS HAVING β2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | THERAVANCE, INC. (US) | 2006-03-02 | — | — | WO | disclosed |