Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 20/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | TDO2 | P48775 | 2/20 | 0.41 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22387541 | 1.00 | IDO1 (0.44) | IDO1CYP2C9CYP2C8KCNH2TDO2 | |
| SCHEMBL19555643 | 0.86 | ESR2 (0.49) | IDO1CYP2C9CYP2C8KCNH2TDO2 | |
| SCHEMBL22270431 | 0.82 | IDO1 (0.44) | IDO1CYP2C9CYP2C8KCNH2TDO2 | |
| SCHEMBL22387417 | 0.80 | IDO1 (0.47) | IDO1CYP2C9CYP2C8KCNH2TDO2 | |
| SCHEMBL22387415 | 0.80 | IDO1 (0.47) | IDO1CYP2C9CYP2C8KCNH2TDO2 | |
| SCHEMBL22270748 | 0.80 | IDO1 (0.45) | IDO1CYP2C9CYP2C8KCNH2TDO2 | |
| SCHEMBL22387554 | 0.80 | IDO1 (0.45) | IDO1CYP2C9CYP2C8KCNH2TDO2 | |
| SCHEMBL22387556 | 0.80 | IDO1 (0.45) | IDO1CYP2C9CYP2C8KCNH2TDO2 | |
| SCHEMBL22270743 | 0.80 | IDO1 (0.45) | IDO1CYP2C9CYP2C8KCNH2TDO2 | |
| SCHEMBL22270561 | 0.80 | IDO1 (0.47) | IDO1CYP2C9CYP2C8KCNH2TDO2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3686196-A1 | POLYCYCLIC COMPOUND ACTING AS IDO INHIBITOR AND/OR IDO-HDAC DUAL INHIBITOR | Hangzhou Innogate Pharma Co., Ltd. (CN) | 2020-07-29 | — | — | EP | disclosed |