Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Entacapone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT known ✓ | P21964 | 5/20 | 1.00 |
| ▸ | FTO | Q9C0B1 | 8/20 | 1.00 |
| ▸ | MEN1 | O00255 | 2/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 2/20 | 1.00 |
| ▸ | ABCC3 | O15438 | 1/20 | 1.00 |
| ▸ | ABCC4 | O15439 | 1/20 | 1.00 |
| ▸ | ABCB11 | O95342 | 1/20 | 1.00 |
| ▸ | LMNA | P02545 | 1/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 1/20 | 1.00 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 1.00 |
| ▸ | EGFR | P00533 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.60 |
| ▸ | RECQL | P46063 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| Entacapone SCHEMBL34505 | 1.00 | FTO (1.00) | FTOCOMTMEN1KMT2AABCC3 | |
| Entacapone SCHEMBL29356206 | 1.00 | FTO (1.00) | FTOCOMTMEN1KMT2AABCC3 | |
| Entacapone SCHEMBL34504 | 1.00 | FTO (1.00) | FTOCOMTMEN1KMT2AABCC3 | |
| Entacapone SCHEMBL3934631 | 1.00 | FTO (1.00) | FTOCOMTMEN1KMT2AABCC3 | |
| Entacapone SCHEMBL29406523 | 1.00 | FTO (1.00) | FTOCOMTMEN1KMT2AABCC3 | |
| Entacapone SCHEMBL27766815 | 0.99 | FTO (0.98) | FTOCOMTMEN1KMT2AABCC3 | |
| Entacapone SCHEMBL4940150 | 0.98 | FTO (0.96) | FTOCOMTMEN1KMT2AABCC3 | |
| Entacapone SCHEMBL4940155 | 0.98 | FTO (0.96) | FTOCOMTMEN1KMT2AABCC3 | |
| Entacapone SCHEMBL26128138 | 0.97 | FTO (0.94) | FTOCOMTMEN1KMT2AABCC3 | |
| Entacapone SCHEMBL3972337 | 0.96 | FTO (0.92) | FTOCOMTMEN1KMT2AABCC3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023183594-A2 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PARKINSON'S DISEASE | ASKLEPIOS BIOPHARMACEUTICAL, INC. (US) | 2023-09-28 | — | — | WO | disclosed |
| EP-3191105-A1 | SULFATE SALT SOLUTION LAXATIVE COMPOSITIONS AND METHODS OF USE THEREOF | Braintree Laboratories, Inc. (US) | 2017-07-19 | — | — | EP | disclosed |
| WO-2016040733-A1 | SULFATE SALT SOLUTION LAXATIVE COMPOSITIONS AND METHODS OF USE THEREOF | BRAINTREE LABORATORIES, INC. (US) | 2016-03-17 | — | — | WO | disclosed |
| EP-2156839-A1 | Method of treating movement disorders using barbituric acid derivatives | Taro Pharmaceutical Industries Ltd. (IL) | 2010-02-24 | — | — | EP | disclosed |