Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 6/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | RAB9A | P51151 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL28040925 | 0.84 | TDP1 (0.39) | ALDH1A1KDM4ESMN1; SMN2CYP1A2NPC1 | |
| Ethoxycarbonyl Group SCHEMBL28040931 | 0.84 | TDP1 (0.39) | ALDH1A1KDM4ESMN1; SMN2CYP1A2NPC1 | |
| Ethoxycarbonyl Group SCHEMBL28038348 | 0.83 | ALDH1A1 (0.43) | ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP2C9 | |
| Ethoxycarbonyl Group SCHEMBL28040581 | 0.82 | ELANE (0.37) | ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP2C9 | |
| Ethoxycarbonyl Group SCHEMBL28040923 | 0.82 | ELANE (0.37) | ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP2C9 | |
| Ether SCHEMBL16742369 | 0.82 | ALDH1A1 (0.49) | ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP2C9 | |
| Ethoxycarbonyl Group SCHEMBL27894122 | 0.81 | TSHR (0.39) | ALDH1A1KDM4ESMN1; SMN2CYP1A2NPC1 | |
| Acetaldehyde SCHEMBL11425484 | 0.81 | ALDH1A1 (0.44) | ALDH1A1KDM4ESMN1; SMN2CYP1A2NPC1 | |
| Quinoxaline SCHEMBL27913231 | 0.80 | ALDH1A1 (0.41) | ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP2C9 | |
| SCHEMBL28571 | 0.79 | PDE10A (0.52) | ALDH1A1KDM4ESMN1; SMN2CYP1A2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102770435-B | Pyrazolopyrimidines and the purposes as PDE10 inhibitor thereof | MITSUBISHI TANABE PHARMA CORP. (JP) | 2015-11-25 | — | — | CN | disclosed |
| CN-105061338-A | 3-methyl-quinoxaline-2-carboxylic acid chemical synthesis method based on ionic liquid system | PINGYUAN WEIFENG YONGZHU TECHNOLOGY CO LTD | 2015-11-18 | — | — | CN | disclosed |
| CN-102770435-A | Pyrazolopyrimidine compounds and their use as PDE10 inhibitors | MITSUBISHI TANABE PHARMA CORP | 2012-11-07 | — | — | CN | disclosed |