Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Amidate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 known ✓ | P14867 | 7/20 | 1.00 |
| ▸ | GABRB2 known ✓ | P47870 | 6/20 | 1.00 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 1.00 |
| ▸ | CYP11B2 | P19099 | 3/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 2/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 2/20 | 1.00 |
| ▸ | CYP11B1 | P15538 | 2/20 | 1.00 |
| ▸ | LMNA | P02545 | 2/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 1/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 1/20 | 1.00 |
| ▸ | ABCB11 | O95342 | 1/20 | 1.00 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.68 |
| ▸ | GPBAR1 | Q8TDU6 | 4/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| Amidate SCHEMBL39485 | 1.00 | GABRA1 (1.00) | GABRA1GABRB2CYP11B2CYP1A2CYP3A4 | |
| S-Etomidate SCHEMBL39486 | 1.00 | GABRA1 (1.00) | GABRA1GABRB2CYP11B2CYP1A2CYP3A4 | |
| Etomidate SCHEMBL39487 | 1.00 | GABRA1 (1.00) | GABRA1GABRB2CYP11B2CYP1A2CYP3A4 | |
| Amidate SCHEMBL901536 | 0.99 | GABRA1 (0.97) | GABRA1GABRB2CYP11B2CYP1A2CYP3A4 | |
| Amidate SCHEMBL21773562 | 0.99 | GABRA1 (0.97) | GABRA1GABRB2CYP11B2CYP1A2CYP3A4 | |
| Amidate SCHEMBL363786 | 0.99 | GABRA1 (0.97) | GABRA1GABRB2CYP11B2CYP1A2CYP3A4 | |
| Amidate SCHEMBL1098161 | 0.99 | GABRA1 (0.97) | GABRA1GABRB2CYP11B2CYP1A2CYP3A4 | |
| Amidate SCHEMBL22502728 | 0.99 | GABRA1 (0.97) | GABRA1GABRB2CYP11B2CYP1A2CYP3A4 | |
| Amidate SCHEMBL668471 | 0.99 | GABRA1 (0.97) | GABRA1GABRB2CYP11B2CYP1A2CYP3A4 | |
| Amidate SCHEMBL11235297 | 0.99 | GABRA1 (0.97) | GABRA1GABRB2CYP11B2CYP1A2CYP3A4 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3038614-A1 | COMPOSITION COMPRISING TORASEMIDE AND BACLOFEN FOR TREATING NEUROLOGICAL DISORDERS | Pharnext (FR) | 2016-07-06 | — | — | EP | disclosed |
| EP-2892519-A1 | NOOTROPIC COMPOSITIONS FOR IMPROVING MEMORY PERFORMANCE | Pharnext (FR) | 2015-07-15 | — | — | EP | disclosed |
| WO-2015028659-A1 | COMPOSITION COMPRISING TORASEMIDE AND BACLOFEN FOR TREATING NEUROLOGICAL DISORDERS | PHARNEXT (FR) | 2015-03-05 | — | — | WO | disclosed |
| WO-2014037412-A1 | NOOTROPIC COMPOSITIONS FOR IMPROVING MEMORY PERFORMANCE | PHARNEXT (FR) | 2014-03-13 | — | — | WO | disclosed |
| EP-2560631-A2 | BACLOFEN AND ACAMPROSATE BASED THERAPY OF NEUROGICAL DISORDERS | Pharnext (FR) | 2013-02-27 | — | — | EP | disclosed |
| EP-2496226-A1 | NEW THERAPEUTIC APPROACHES FOR TREATING ALZHEIMER DISEASE | Pharnext (FR) | 2012-09-12 | — | — | EP | disclosed |
| WO-2012117076-A2 | BACLOFEN AND ACAMPROSATE BASED THERAPY OF NEUROGICAL DISORDERS | PHARNEXT (FR) | 2012-09-07 | — | — | WO | disclosed |
| WO-2012117073-A2 | NEW COMPOSITIONS FOR TREATING NEUROLOGICAL DISORDERS | PHARNEXT (FR) | 2012-09-07 | — | — | WO | disclosed |
| WO-2011054759-A1 | NEW THERAPEUTIC APPROACHES FOR TREATING ALZHEIMER DISEASE | PHARNEXT (FR) | 2011-05-12 | — | — | WO | disclosed |