Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10191376 | 0.93 | ALDH1A1 (0.50) | KEAP1ALDH1A1FFAR1TDP1HDAC2 | |
| SCHEMBL11163428 | 0.84 | GAA (0.47) | KEAP1ALDH1A1FFAR1TDP1HDAC2 | |
| SCHEMBL11735865 | 0.84 | ESR1 (0.45) | ALDH1A1TDP1HDAC2HDAC8MAPK1 | |
| SCHEMBL11732171 | 0.82 | FFAR1 (0.46) | ALDH1A1FFAR1TDP1NPC1SMN1; SMN2 | |
| SCHEMBL11732139 | 0.82 | FFAR1 (0.46) | FFAR1POLB | |
| SCHEMBL11728518 | 0.82 | DRD2 (0.46) | HDAC6 | |
| SCHEMBL11160211 | 0.79 | GAA (0.43) | KEAP1 | |
| SCHEMBL11728918 | 0.78 | F2RL1 (0.57) | ALDH1A1FFAR1NPC1MAPK1SMN1; SMN2 | |
| SCHEMBL11168250 | 0.78 | TDP1 (0.47) | KEAP1ALDH1A1TDP1NPC1SMN1; SMN2 | |
| SCHEMBL11730196 | 0.77 | TAAR1 (0.43) | ALDH1A1NPC1POLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4003936-A | HYPOTENSIVE AGENTS | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JA) | 1977-01-18 | — | — | US | claimed |
| US-4003936-A | HYPOTENSIVE AGENTS | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JA) | 1977-01-18 | — | — | US | disclosed |
| US-4003936-A | HYPOTENSIVE AGENTS | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JA) | 1977-01-18 | — | — | US | disclosed |