Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CASP3 | P42574 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.39 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | GLS | O94925 | 1/20 | 0.38 |
| ▸ | CDC25B | P30305 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | MC4R | P32245 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL35297 | 0.98 | ALDH1A1 (0.48) | ALDH1A1CASP3POLBNPSR1CYP1A2 | |
| SCHEMBL30124938 | 0.98 | ALDH1A1 (0.48) | ALDH1A1CASP3POLBNPSR1CYP1A2 | |
| SCHEMBL29372938 | 0.98 | ALDH1A1 (0.48) | ALDH1A1CASP3POLBNPSR1CYP1A2 | |
| Allylamine SCHEMBL10531905 | 0.86 | ALDH1A1 (0.49) | ALDH1A1CASP3POLBNPSR1CA12 | |
| SCHEMBL14050320 | 0.85 | ALDH1A1 (0.43) | ALDH1A1CASP3POLBNPSR1CYP1A2 | |
| Succinimide SCHEMBL11137097 | 0.82 | CRBN (0.46) | ALDH1A1CASP3CYP1A2 | |
| Malonic Acid SCHEMBL30496168 | 0.82 | CA12 (0.50) | ALDH1A1CASP3POLBNPSR1CA12 | |
| SCHEMBL11937088 | 0.80 | GSTP1 (0.36) | ALDH1A1CASP3POLBCYP1A2CA12 | |
| SCHEMBL7619242 | 0.80 | ALDH1A1 (0.44) | ALDH1A1CASP3POLBNPSR1CA12 | |
| Benzenesulfonamide SCHEMBL15232899 | 0.80 | CA2 (0.54) | ALDH1A1CASP3CA12CA9CA2 |
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-110343196-A | A kind of method and application based on ATRP living polymerization synthesis diamine base terminated polystyrene | 西南石油大学 | 2019-10-18 | — | — | CN | disclosed |