Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CETP | P11597 | 1/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL16032467 | 0.74 | MAPT (0.50) | SIGMAR1TDP1MAPTKDM4EALDH1A1 | |
| SCHEMBL28368172 | 0.73 | MAPT (0.51) | SIGMAR1TDP1MAPTKDM4EALDH1A1 | |
| SCHEMBL28046394 | 0.69 | HSD17B2 (0.47) | SIGMAR1TDP1MAPTKDM4EALDH1A1 | |
| SCHEMBL28368317 | 0.69 | MAPT (0.46) | SIGMAR1TDP1MAPTKDM4EALDH1A1 | |
| SCHEMBL28368556 | 0.68 | SIGMAR1 (0.50) | SIGMAR1MAPTKDM4EALDH1A1ATM | |
| SCHEMBL13946010 | 0.67 | CHRM2 (0.83) | SIGMAR1MAPTKDM4EALDH1A1ATM | |
| SCHEMBL30442828 | 0.65 | HDAC8 (0.64) | SIGMAR1MAPTKDM4EALDH1A1ATM | |
| SCHEMBL28263108 | 0.65 | SLC6A3 (0.41) | KDM4EALDH1A1 | |
| SCHEMBL28546647 | 0.65 | HDAC8 (0.64) | SIGMAR1MAPTKDM4EALDH1A1ATM | |
| SCHEMBL7428714 | 0.64 | SIGMAR1 (0.76) | SIGMAR1TDP1MAPTKDM4EALDH1A1 |
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-105209457-A | Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy | ABBVIE DEUTSCHLAND | 2015-12-30 | — | — | CN | disclosed |