Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | NSD2 | O96028 | 1/20 | 0.44 |
| ▸ | GRK2 | P25098 | 1/20 | 0.44 |
| ▸ | CASP6 | P55212 | 1/20 | 0.44 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.43 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | GLS | O94925 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2879665 | 0.80 | KEAP1 (0.50) | ALDH1A1CA2LMNATBXAS1 | |
| SCHEMBL12880507 | 0.79 | GLS (0.48) | POLBKLKB1GLSLMNAHTT | |
| SCHEMBL13105870 | 0.79 | CYP4F2 (0.49) | ALDH1A1HPGDMAPTGLSTSHR | |
| SCHEMBL15678988 | 0.76 | PTGS2 (0.45) | PTGS2PTGS1AKR1B1ALDH1A1HPGD | |
| SCHEMBL31370201 | 0.76 | TYR (0.55) | PTGS2PTGS1ALDH1A1HSD17B10KDM4E | |
| SCHEMBL3034539 | 0.73 | — | — | |
| SCHEMBL5738999 | 0.72 | PTGS2 (0.57) | PTGS2PTGS1AKR1B1ALDH1A1HPGD | |
| SCHEMBL13322476 | 0.72 | PTGS2 (0.45) | PTGS2PTGS1AKR1B1ALDH1A1HPGD | |
| Acetic Acid SCHEMBL30212982 | 0.72 | ALDH1A1 (0.47) | ALDH1A1HPGDHSD17B10KDM4EMAPT | |
| SCHEMBL22253272 | 0.71 | KMT2A (0.49) | ALDH1A1KDM4EMAPTPOLB |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |