Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.68 |
| ▸ | CES2 | O00748 | 5/20 | 0.66 |
| ▸ | CES1 | P23141 | 4/20 | 0.66 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11279590 | 0.86 | CES2 (0.66) | ALDH1A1KDM4ECES2CES1TSHR | |
| SCHEMBL10497179 | 0.83 | ALDH1A1 (0.68) | ALDH1A1KDM4ECES2CES1TSHR | |
| SCHEMBL9315505 | 0.83 | ALDH1A1 (0.68) | ALDH1A1KDM4ECES2CES1TSHR | |
| SCHEMBL11279441 | 0.82 | ALDH1A1 (0.71) | ALDH1A1KDM4ECES2CES1TSHR | |
| SCHEMBL11279438 | 0.82 | ALDH1A1 (0.71) | ALDH1A1KDM4ECES2CES1TSHR | |
| SCHEMBL67861 | 0.82 | ALDH1A1 (1.00) | ALDH1A1KDM4ECES2CES1TSHR | |
| SCHEMBL18438932 | 0.82 | CES2 (0.84) | ALDH1A1KDM4ECES2CES1KMT2A | |
| SCHEMBL8552682 | 0.80 | CES2 (0.66) | ALDH1A1KDM4ECES2CES1KMT2A | |
| SCHEMBL11382156 | 0.80 | CES2 (1.00) | ALDH1A1CES2CES1KMT2ALMNA | |
| SCHEMBL20943429 | 0.80 | ALDH1A1 (0.83) | ALDH1A1KDM4ECES2CES1TSHR |
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-4344954-A | DIURETICS | AMERICAN CYANAMID COMPANY (US) | 1982-08-17 | — | — | US | disclosed |