Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | ACHE | P22303 | 4/20 | 0.53 |
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.44 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.44 |
| ▸ | F10 | P00742 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3877144 | 0.88 | CYP3A4 (0.56) | CYP3A4LMNAACHEPARP1KDM4E | |
| SCHEMBL5394435 | 0.86 | CYP3A4 (0.54) | CYP3A4LMNAACHEPARP1MEN1 | |
| SCHEMBL31618740 | 0.86 | CYP3A4 (0.54) | CYP3A4LMNAACHEPARP1MEN1 | |
| SCHEMBL27655540 | 0.85 | ACHE (0.56) | LMNAACHEKMT2APOLBCTBP2 | |
| SCHEMBL4634509 | 0.85 | SLC7A5 (0.55) | CYP3A4LMNAACHEPARP1MEN1 | |
| SCHEMBL1416873 | 0.84 | POLB (0.67) | MEN1KMT2APOLBKDM4EALDH1A1 | |
| SCHEMBL202980 | 0.84 | CYP3A4 (0.59) | CYP3A4LMNAACHEPARP1MEN1 | |
| SCHEMBL9362791 | 0.84 | CYP3A4 (0.59) | CYP3A4LMNAACHEPARP1MEN1 | |
| SCHEMBL269177 | 0.84 | CTBP2 (0.62) | MEN1KMT2APOLBALDH1A1CTBP2 | |
| SCHEMBL3339215 | 0.84 | CYP3A4 (0.59) | CYP3A4LMNAACHEPARP1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3210981-A1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA 2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | Theravance Respiratory Company, LLC (US) | 2017-08-30 | — | — | EP | disclosed |
| EP-2421849-A1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | Theravance, Inc. (US) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010123766-A1 | DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND β2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | THERAVANCE, INC. (US) | 2010-10-28 | — | — | WO | disclosed |