Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.37 |
| ▸ | CHRNG | P07510 | 1/20 | 0.37 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | CHRND | Q07001 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19280276 | 0.84 | ALDH1A1 (0.46) | ALDH1A1TP53HPGDLMNA | |
| SCHEMBL15212252 | 0.83 | ALDH1A1 (0.41) | ALDH1A1TP53HPGDHCAR3HCAR2 | |
| SCHEMBL1669519 | 0.81 | GRIN2B (0.44) | ALDH1A1LMNACHRM4 | |
| SCHEMBL15689692 | 0.81 | OPRM1 (0.49) | ALDH1A1HCAR2SMN1; SMN2 | |
| SCHEMBL15156081 | 0.80 | OPRM1 (0.43) | HPGDGAASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL15212259 | 0.79 | RORC (0.48) | LMNA | |
| SCHEMBL2675939 | 0.77 | ALDH1A1 (0.38) | ALDH1A1TP53HPGDHCAR3HCAR2 | |
| SCHEMBL2674571 | 0.77 | ALDH1A1 (0.38) | ALDH1A1TP53HPGDHCAR3HCAR2 | |
| SCHEMBL23232243 | 0.75 | CHRNA1 (0.44) | ALDH1A1TP53HCAR3HCAR2GAA | |
| SCHEMBL30820875 | 0.75 | CHRNA1 (0.44) | ALDH1A1TP53HCAR3HCAR2GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3321257-A1 | SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 | Vanderbilt University (US) | 2018-05-16 | — | — | EP | disclosed |
| EP-2817295-B1 | SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 | UNIV VANDERBILT (US) | 2017-11-01 | — | — | EP | disclosed |
| EP-2817295-A1 | SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 | Vanderbilt University (US) | 2014-12-31 | — | — | EP | disclosed |
| WO-2013126856-A1 | SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 | VANDERBILT UNIVERSITY (US) | 2013-08-29 | — | — | WO | disclosed |