Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
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 SCHEMBL28040931 | 0.94 | TDP1 (0.39) | TDP1CYP1A2NQO2KDM4ENPC1 | |
| Ethoxycarbonyl Group SCHEMBL28801419 | 0.84 | ALDH1A1 (0.47) | CYP1A2KDM4ENPC1RAB9AALDH1A1 | |
| SCHEMBL30578800 | 0.81 | CYP1A2 (0.54) | TDP1CYP1A2NQO2KDM4ENPC1 | |
| SCHEMBL29639029 | 0.81 | CYP1A2 (0.54) | TDP1CYP1A2NQO2KDM4ENPC1 | |
| SCHEMBL8344116 | 0.81 | CYP1A2 (0.54) | TDP1CYP1A2NQO2KDM4ENPC1 | |
| Ethoxycarbonyl Group SCHEMBL27894122 | 0.81 | TSHR (0.39) | TDP1CYP1A2KDM4ENPC1RAB9A | |
| Ethoxycarbonyl Group SCHEMBL27877278 | 0.78 | MAOB (0.40) | KDM4EALDH1A1GAAHPGDSMN1; SMN2 | |
| Ethoxycarbonyl Group SCHEMBL28040584 | 0.77 | — | — | |
| Ethoxycarbonyl Group SCHEMBL27469488 | 0.74 | MAPK1 (0.40) | CYP1A2KDM4EALDH1A1GAAHPGD | |
| SCHEMBL29639043 | 0.74 | CYP1A2 (0.54) | TDP1CYP1A2NQO2KDM4ENPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102770435-B | Pyrazolopyrimidines and the purposes as PDE10 inhibitor thereof | MITSUBISHI TANABE PHARMA CORP. (JP) | 2015-11-25 | — | — | CN | disclosed |