Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EED | O75530 | 1/20 | 0.38 |
| ▸ | CPN1 | P15169 | 1/20 | 0.36 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | SLC6A1 | P30531 | 3/20 | 0.34 |
| ▸ | SLC6A11 | P48066 | 3/20 | 0.34 |
| ▸ | APLNR | P35414 | 2/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.34 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.34 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.34 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 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 | |
|---|---|---|---|---|
| Formic Acid Methyl Ester SCHEMBL28113386 | 0.89 | SLC6A1 (0.44) | SLC6A1SLC6A11GABRA5GABRB2SLC6A12 | |
| Formic Acid Methyl Ester SCHEMBL28112840 | 0.88 | SLC6A1 (0.43) | SLC6A1SLC6A11GABRA5GABRB2SLC6A12 | |
| Tert-Butyl Formate SCHEMBL27903707 | 0.84 | TDP1 (0.39) | EEDCPN1CPB2EPHX1SLC6A1 | |
| Tert-Butyl Formate SCHEMBL27844874 | 0.84 | TDP1 (0.39) | EEDCPN1CPB2EPHX1SLC6A1 | |
| Tert-Butyl Formate SCHEMBL27919819 | 0.84 | TDP1 (0.39) | EEDCPN1CPB2EPHX1SLC6A1 | |
| SCHEMBL1036463 | 0.83 | — | — | |
| SCHEMBL2386500 | 0.83 | — | — | |
| SCHEMBL8212140 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL4636136 | 0.81 | HRH3 (0.41) | EEDCPN1CPB2EPHX1SLC6A1 | |
| Hydrochloric Acid SCHEMBL8393278 | 0.81 | HRH3 (0.41) | EEDCPN1CPB2EPHX1SLC6A1 |
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-106188027-A | Heteroaromatic analog derivative and the application in medicine thereof | 广东东阳光药业有限公司 | 2016-12-07 | — | — | CN | disclosed |