Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13740985 | 0.86 | ALDH1A1 (0.64) | ALDH1A1KDM4ERXFP1TSHRHSD17B10 | |
| SCHEMBL1055219 | 0.85 | KMT2A (0.48) | ALDH1A1KDM4ERXFP1MAPK1MEN1 | |
| SCHEMBL13740053 | 0.85 | ALDH1A1 (0.47) | ALDH1A1KDM4EHSD17B10PABPC1KMT2A | |
| SCHEMBL1061698 | 0.84 | KMT2A (0.50) | ALDH1A1KDM4ERXFP1MAPTMEN1 | |
| SCHEMBL9868002 | 0.82 | ALDH1A1 (0.54) | ALDH1A1KDM4ERXFP1TSHRHSD17B10 | |
| SCHEMBL752911 | 0.82 | ALDH1A1 (0.57) | ALDH1A1KDM4ERXFP1TSHRHSD17B10 | |
| SCHEMBL1057049 | 0.78 | KMT2A (0.48) | ALDH1A1KDM4ERXFP1MAPTMEN1 | |
| SCHEMBL1059735 | 0.77 | TSHR (0.59) | ALDH1A1KDM4ERXFP1TSHRHSD17B10 | |
| SCHEMBL13838736 | 0.76 | RXFP1 (0.52) | ALDH1A1KDM4ERXFP1TSHRHSD17B10 | |
| SCHEMBL1063196 | 0.75 | KMT2A (0.45) | ALDH1A1RXFP1MAPTMEN1POLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012154731-A1 | SUBSTITUTED 1H-PYRROLO[3,2-C]QUINOLIN-4(5H)-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 | VANDERBILT UNIVERSITY (US) | 2012-11-15 | — | — | WO | disclosed |