Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | PRKCI | P41743 | 1/20 | 0.35 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.34 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15358717 | 0.81 | CASP1 (0.39) | ALDH1A1CYP3A4CASP1TSHRKMT2A | |
| SCHEMBL479743 | 0.80 | CYP3A4 (0.46) | ALDH1A1CYP3A4CASP1TSHRKMT2A | |
| SCHEMBL2561411 | 0.79 | SRC (0.42) | ALDH1A1CASP1KMT2AMAPK1MAPT | |
| SCHEMBL31176234 | 0.79 | SRC (0.42) | ALDH1A1CASP1KMT2AMAPK1MAPT | |
| SCHEMBL3857715 | 0.79 | ALDH1A1 (0.54) | ALDH1A1CYP3A4PDE10AL3MBTL1CASP1 | |
| SCHEMBL31184714 | 0.79 | ALDH1A1 (0.54) | ALDH1A1CYP3A4PDE10AL3MBTL1CASP1 | |
| SCHEMBL272096 | 0.76 | ALDH1A1 (0.56) | ALDH1A1CYP3A4PDE10AL3MBTL1CASP1 | |
| SCHEMBL29673045 | 0.76 | ALDH1A1 (0.56) | ALDH1A1CYP3A4PDE10AL3MBTL1CASP1 | |
| SCHEMBL865950 | 0.76 | ALDH1A1 (0.56) | ALDH1A1CYP3A4PDE10AL3MBTL1CASP1 | |
| SCHEMBL2562083 | 0.76 | P2RX7 (0.38) | ALDH1A1TSHRKMT2AMAPK1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0570706-A1 | Aryl and heteroaryl (phosphinylmethyl) phosphonate squalene synthetase inhibitors and method | E.R. SQUIBB & SONS, INC. (US) | 1993-11-24 | — | — | EP | disclosed |