Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | APLNR | P35414 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | FAP | Q12884 | 1/20 | 0.35 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.35 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.35 |
| ▸ | CPN1 | P15169 | 1/20 | 0.33 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.33 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28281138 | 1.00 | KCNH2 (0.45) | KCNH2RAD52KDM1AMAOBAPLNR | |
| SCHEMBL10064351 | 0.89 | — | — | |
| SCHEMBL25932766 | 0.89 | — | — | |
| SCHEMBL10064190 | 0.89 | — | — | |
| SCHEMBL27419894 | 0.82 | KCNH2 (0.53) | KCNH2RAD52KDM1AMAOBKDM4E | |
| SCHEMBL5768036 | 0.82 | KCNH2 (0.53) | KCNH2RAD52KDM1AMAOBKDM4E | |
| SCHEMBL1999065 | 0.82 | KCNH2 (0.44) | KCNH2RAD52KDM1AMAOBKDM4E | |
| Hydrochloric Acid SCHEMBL28253889 | 0.80 | KCNH2 (0.52) | KCNH2RAD52KDM1AMAOBKDM4E | |
| SCHEMBL14625145 | 0.80 | — | — | |
| SCHEMBL6669807 | 0.79 | GNAI3 (0.51) | KCNH2RAD52KDM1AMAOBKMT2A |
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-109415355-A | Benzdioxan derivative and its medicinal usage | 奥赖恩公司 | 2019-03-01 | — | — | CN | disclosed |