Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GID4 | Q8IVV7 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 6/20 | 0.34 |
| ▸ | HTR2B | P41595 | 4/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.32 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL26597517 | 1.00 | KDM4E (0.40) | KDM4EALDH1A1GID4HTR2CHTR2B | |
| SCHEMBL7919137 | 1.00 | KDM4E (0.40) | KDM4EALDH1A1GID4HTR2CHTR2B | |
| SCHEMBL18650999 | 0.81 | GID4 (0.42) | KDM4EALDH1A1GID4HTR2CHTR2B | |
| SCHEMBL11452212 | 0.76 | TRPM5 (0.40) | HTR2CHTR2BHTR2AKDM1AADRA2A | |
| SCHEMBL12362687 | 0.76 | ACHE (0.38) | ALDH1A1HTR2CHTR2BSLC6A2HTR2A | |
| SCHEMBL12362682 | 0.76 | CHRNB2 (0.44) | HTR2CHTR2BHTR2AKDM1A | |
| SCHEMBL13457936 | 0.76 | ACHE (0.38) | ALDH1A1HTR2CHTR2BSLC6A2HTR2A | |
| SCHEMBL15021507 | 0.76 | — | — | |
| SCHEMBL24029486 | 0.73 | KDM4E (0.38) | KDM4EALDH1A1HTR2CHTR2BSLC6A2 | |
| SCHEMBL11104256 | 0.72 | HTR1A (0.39) | BRD4ADRA2AADRA2BADRA2CPARP10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3492465-B1 | S1P1 AGONIST AND APPLICATION THEREOF | SHIJIAZHUANG SAGACITY NEW DRUG DEV CO LTD (CN) | 2021-03-24 | — | — | EP | disclosed |
| EP-3492465-A1 | S1P1 AGONIST AND APPLICATION THEREOF | Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) | 2019-06-05 | — | — | EP | disclosed |