Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.34 |
| ▸ | NQO2 | P16083 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CASR | P41180 | 1/20 | 0.33 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 2/20 | 0.32 |
| ▸ | CCND1 | P24385 | 2/20 | 0.32 |
| ▸ | PRKACA | P17612 | 1/20 | 0.32 |
| ▸ | PRKACG | P22612 | 1/20 | 0.32 |
| ▸ | PRKACB | P22694 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.32 |
| ▸ | TUBB | P07437 | 2/20 | 0.32 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.32 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.32 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.32 |
| ▸ | TUBB4B | P68371 | 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 | |
|---|---|---|---|---|
| SCHEMBL24981009 | 0.79 | CYP19A1 (0.44) | CYP19A1NQO2LMNAMAPTCYP2C9 | |
| SCHEMBL24981842 | 0.78 | F2RL1 (0.40) | CYP19A1NQO2LMNAMAPTCYP2C9 | |
| SCHEMBL24981834 | 0.78 | NQO2 (0.35) | CYP19A1NQO2LMNAMAPTCYP2C9 | |
| SCHEMBL25146223 | 0.75 | LMNA (0.33) | CYP19A1NQO2LMNAMAPTCYP2C9 | |
| SCHEMBL18736629 | 0.75 | KDM4E (0.33) | MAPT | |
| SCHEMBL14981475 | 0.73 | F2RL1 (0.35) | — | |
| SCHEMBL14886437 | 0.73 | MAPT (0.46) | MAPTCYP2C9TUBB4ATUBBTUBA3C | |
| SCHEMBL15987332 | 0.71 | NR4A2 (0.42) | LMNAMAPTTUBB4ATUBBTUBA3C | |
| SCHEMBL6030234 | 0.70 | PRMT1 (0.36) | CYP19A1NQO2LMNAMAPTCYP2C9 | |
| SCHEMBL7292557 | 0.68 | CYP19A1 (0.51) | CYP19A1NQO2LMNAMAPTCYP2C9 |
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-4129989-A1 | NITRILE DERIVATIVE THAT ACTS AS INHIBITOR OF DIPEPTIDYL PEPTIDASE 1 AND USE THEREOF | Haisco Pharmaceuticals Pte. Ltd. (SG) | 2023-02-08 | — | — | EP | disclosed |