Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15212343 | 0.83 | ALDH1A1 (0.42) | ALDH1A1TP53HPGDHCAR3HCAR2 | |
| SCHEMBL15156675 | 0.80 | MAPT (0.38) | ALDH1A1HPGDGAASMN1; SMN2KDM4E | |
| SCHEMBL15212225 | 0.79 | RORC (0.47) | — | |
| SCHEMBL2675939 | 0.79 | ALDH1A1 (0.38) | ALDH1A1TP53HPGDHCAR3HCAR2 | |
| SCHEMBL2674571 | 0.76 | ALDH1A1 (0.38) | ALDH1A1TP53HPGDHCAR3HCAR2 | |
| SCHEMBL19512563 | 0.76 | BACE1 (0.44) | ALDH1A1HPGDSMN1; SMN2MEN1KMT2A | |
| SCHEMBL19280276 | 0.74 | ALDH1A1 (0.46) | ALDH1A1TP53HPGDHSD11B1 | |
| SCHEMBL25350885 | 0.74 | ALDH1A1 (0.38) | ALDH1A1HCAR3HCAR2GAASMN1; SMN2 | |
| SCHEMBL38652021 | 0.73 | USP30 (0.49) | MEN1KMT2A | |
| SCHEMBL23852239 | 0.73 | ALDH1A1 (0.43) | ALDH1A1TP53HPGDHCAR3HCAR2 |
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 |