Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.35 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PAM | P19021 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | DGKA | P23743 | 1/20 | 0.30 |
| ▸ | CTSD | P07339 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1755557 | 0.83 | TSHR (0.50) | ALDH1A1CES1CES2HDAC3HDAC1 | |
| SCHEMBL5746936 | 0.81 | ALDH1A1 (0.48) | ALDH1A1CES1CES2HDAC3HDAC1 | |
| SCHEMBL28329458 | 0.80 | TSHR (0.38) | ALDH1A1CES1CES2HDAC3HDAC1 | |
| SCHEMBL13334145 | 0.80 | — | — | |
| SCHEMBL342382 | 0.76 | GLO1 (0.32) | ALDH1A1GLO1LMNAHSD17B10 | |
| SCHEMBL2231747 | 0.76 | ALDH1A1 (0.52) | ALDH1A1CES1CES2HDAC3HDAC1 | |
| SCHEMBL22582940 | 0.76 | ALDH1A1 (0.40) | ALDH1A1GLO1TSHRLMNAHSD17B10 | |
| Benzene SCHEMBL27586720 | 0.76 | ALDH1A1 (0.42) | ALDH1A1CES1CES2HDAC3HDAC1 | |
| SCHEMBL11587311 | 0.74 | ALDH1A1 (0.50) | ALDH1A1CES1CES2HDAC3HDAC1 | |
| SCHEMBL6514419 | 0.73 | ATM (0.50) | ALDH1A1CES1CES2HDAC3HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8946144-B2 | Phosphonated glycopeptide and lipoglycopeptide antibiotics and uses thereof for the prevention and treatment of bone and joint infections | THE MEDICINES COMPANY (US) | 2015-02-03 | — | — | US | disclosed |