Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.42 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.42 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28514922 | 0.81 | GAA (0.43) | NPC1RAB9ASMN1; SMN2TP53LMNA | |
| SCHEMBL1420029 | 0.75 | ESR2 (0.59) | NPC1RAB9AMAPK1SMN1; SMN2TP53 | |
| SCHEMBL8591645 | 0.70 | CA1 (0.48) | NPC1RAB9AMAPK1SMN1; SMN2TP53 | |
| SCHEMBL1029610 | 0.69 | — | — | |
| SCHEMBL16056542 | 0.67 | CYP3A4 (0.48) | NPC1RAB9AMAPK1SMN1; SMN2TP53 | |
| SCHEMBL6417992 | 0.67 | CA4 (0.44) | NPC1RAB9ASMN1; SMN2CYP1A2KDM4E | |
| SCHEMBL16400853 | 0.67 | CYP1A2 (0.41) | NPC1RAB9ASMN1; SMN2CYP1A1CYP1B1 | |
| SCHEMBL27934853 | 0.66 | CYP3A4 (0.46) | NPC1RAB9AMAPK1SMN1; SMN2TP53 | |
| SCHEMBL6950427 | 0.66 | NPC1 (0.45) | NPC1RAB9AMAPK1SMN1; SMN2TP53 | |
| SCHEMBL16318731 | 0.65 | TNIK (0.38) | NPC1RAB9AMAPK1MEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112321579-A | Salts of 2-amino-1-hydroxyethyl-8-hydroxyquinolin-2 (1H) -one derivatives | 阿尔米雷尔有限公司 | 2021-02-05 | — | — | CN | disclosed |
| CN-103649089-B | Pyrrolotriazinones as PI3K inhibitors | 阿尔米雷尔有限公司 | 2016-06-29 | — | — | CN | disclosed |
| CN-105492027-A | Salts of 2-amino-1-hydroxyethyl-8-hydroxyquinolin-2 (1H) -one derivatives having both muscarinic receptor antagonist and beta 2 adrenergic receptor agonist activity | ALMIRALL SA | 2016-04-13 | — | — | CN | disclosed |
| CN-105025897-A | Salts of 2-amino-1-hydroxyethyl-8-hydroxyquinolin-2 (1H) -one derivatives having both beta 2 adrenergic receptor agonist and M3 muscarinic receptor antagonist activity | ALMIRALL SA | 2015-11-04 | — | — | CN | disclosed |