Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 10/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MPL | P40238 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 2/20 | 0.33 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | GABRA4 | P48169 | 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 | |
|---|---|---|---|---|
| SCHEMBL9784280 | 0.83 | ACHE (0.40) | ARALDH1A1KDM4EGAAACHE | |
| SCHEMBL7704882 | 0.79 | KDM4E (0.37) | ARALDH1A1KDM4EGAAMAPT | |
| SCHEMBL7702032 | 0.74 | AR (0.46) | ARALDH1A1KDM4EGAAMAPT | |
| SCHEMBL787753 | 0.72 | RAPGEF4 (0.32) | — | |
| SCHEMBL6941941 | 0.71 | ACHE (0.40) | ARALDH1A1ACHE | |
| SCHEMBL27935010 | 0.71 | AR (0.35) | ARALDH1A1KMT2A | |
| SCHEMBL26375379 | 0.71 | NOTUM (0.46) | ARALDH1A1L3MBTL1ADCY8ADCY1 | |
| SCHEMBL25844613 | 0.70 | AR (0.49) | ARALDH1A1KDM4EGAAGABRP | |
| SCHEMBL20108386 | 0.66 | AR (0.45) | ARALDH1A1GAAMAPTKMT2A | |
| SCHEMBL30507312 | 0.66 | ACHE (0.48) | ALDH1A1KDM4EACHE |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0906322-A1 | NOVEL CHIRAL BISPHOSPHINES | Merck & Co., Inc. (US) | 1999-04-07 | — | — | EP | disclosed |
| WO-1997047632-A1 | NOVEL CHIRAL BISPHOSPHINES | MERCK & CO., INC. (US) | 1997-12-18 | — | — | WO | disclosed |