Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 12/20 | 0.64 |
| ▸ | PTGS1 | P23219 | 9/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | SLC22A6 | Q4U2R8 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | FABP2 | P12104 | 1/20 | 0.44 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL18515684 | 0.82 | PTGS2 (0.44) | PTGS2LMNATSHRKDM4EMAPK1 | |
| SCHEMBL21138968 | 0.77 | PTGS2 (0.38) | PTGS2CYP2C9CYP2C19KDM4E | |
| SCHEMBL6487655 | 0.76 | AKR1C3 (0.51) | PTGS2PTGS1AKR1C3AKR1C2SLC22A6 | |
| SCHEMBL17981958 | 0.76 | PTGS2 (0.37) | PTGS2CYP2C9CYP2C19KDM4E | |
| SCHEMBL22214088 | 0.76 | PTGS2 (0.37) | PTGS2CYP2C9CYP2C19KDM4E | |
| SCHEMBL19002518 | 0.76 | TUBB4A (0.38) | PTGS2CYP2C9CYP2C19KDM4E | |
| SCHEMBL3670299 | 0.75 | AKR1C3 (0.50) | PTGS2PTGS1AKR1C3AKR1C2SLC22A6 | |
| SCHEMBL25884992 | 0.73 | HDAC4 (0.45) | PTGS2LMNAHPGDTSHRCYP2C9 | |
| SCHEMBL21983488 | 0.70 | HDAC6 (0.33) | PTGS2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL20832598 | 0.70 | PRMT5 (0.36) | PTGS2CYP2C9CYP2C19KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023226965-A1 | ROCK INHIBITORS AND USES THEREOF | DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) | 2023-11-30 | — | — | WO | disclosed |