Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | CASP2 | P42575 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18199495 | 0.89 | SMN1; SMN2 (0.66) | SMN1; SMN2TP53HPGDKMT2AALDH1A1 | |
| SCHEMBL20340484 | 0.85 | SMN1; SMN2 (0.66) | SMN1; SMN2TP53HPGDKMT2AALDH1A1 | |
| SCHEMBL15602662 | 0.84 | SMN1; SMN2 (0.56) | SMN1; SMN2TP53HPGDKMT2AALDH1A1 | |
| SCHEMBL18827286 | 0.82 | PAOX (0.57) | SMN1; SMN2TP53HPGDKMT2AALDH1A1 | |
| SCHEMBL24048091 | 0.82 | SMN1; SMN2 (0.54) | SMN1; SMN2TP53HPGDKMT2AALDH1A1 | |
| SCHEMBL24048451 | 0.82 | PAOX (0.57) | SMN1; SMN2TP53HPGDKMT2AALDH1A1 | |
| SCHEMBL15855110 | 0.82 | PAOX (0.57) | SMN1; SMN2TP53HPGDKMT2AALDH1A1 | |
| SCHEMBL24692521 | 0.82 | SMN1; SMN2 (0.58) | SMN1; SMN2TP53HPGDKMT2AALDH1A1 | |
| SCHEMBL7035049 | 0.82 | CASP2 (0.59) | SMN1; SMN2TP53HPGDKMT2AALDH1A1 | |
| SCHEMBL16293353 | 0.82 | TP53 (0.58) | SMN1; SMN2TP53HPGDKMT2AALDH1A1 |
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-3954692-A1 | METHOD FOR MODIFYING AMINO GROUP IN MOLECULE WITH OXAZOLINE QUATERNARY AMMONIUM SALT AND USE THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2022-02-16 | — | — | EP | disclosed |