Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | MPI | P34949 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | METAP2 | P50579 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL28868640 | 0.80 | CD274 (0.44) | — | |
| SCHEMBL20296354 | 0.78 | CCR5 (0.43) | ALDH1A1KDM4EHTTTSHRMAPT | |
| SCHEMBL20296352 | 0.78 | CCR5 (0.43) | ALDH1A1KDM4EHTTTSHRMAPT | |
| SCHEMBL30740137 | 0.78 | CCR5 (0.43) | ALDH1A1KDM4EHTTTSHRMAPT | |
| SCHEMBL28868549 | 0.77 | CD274 (0.35) | — | |
| SCHEMBL28868671 | 0.77 | ALDH1A1 (0.40) | ALDH1A1KDM4ESMN1; SMN2CYP2C19NPSR1 | |
| SCHEMBL28868663 | 0.76 | CD274 (0.45) | — | |
| SCHEMBL1725052 | 0.76 | CYP11B1 (0.53) | ALDH1A1KDM4ESMN1; SMN2LMNANPC1 | |
| SCHEMBL30021389 | 0.75 | CYP2D6 (0.49) | ALDH1A1KDM4EL3MBTL1CYP2D6TDP1 | |
| SCHEMBL28868539 | 0.75 | ALDH1A1 (0.45) | ALDH1A1KDM4ESMN1; SMN2TP53ALOX12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110582493-B | Benzoxazole derivatives as immunomodulators | 因赛特公司 | 2024-03-08 | — | — | CN | disclosed |