Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.39 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16952962 | 0.87 | S1PR1 (0.47) | S1PR1ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL16950896 | 0.86 | S1PR1 (0.37) | S1PR1ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL2096195 | 0.81 | KDM4E (0.35) | S1PR1ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL483697 | 0.80 | ALDH1A1 (0.49) | ALDH1A1MAPTKMT2ASMN1; SMN2CA1 | |
| SCHEMBL30496165 | 0.80 | ALDH1A1 (0.49) | ALDH1A1MAPTKMT2ASMN1; SMN2CA1 | |
| SCHEMBL6958245 | 0.79 | CA1 (0.37) | ALDH1A1MAPTSMN1; SMN2CA1CA2 | |
| SCHEMBL27756124 | 0.79 | SMN1; SMN2 (0.37) | ALDH1A1MAPTKDM4ESMN1; SMN2CA1 | |
| SCHEMBL11524213 | 0.79 | GABRA1 (0.41) | SMN1; SMN2CA1CA2HIF1AMAOA | |
| SCHEMBL1378624 | 0.79 | CA1 (0.41) | ALDH1A1MAPTKDM4EGAASMN1; SMN2 | |
| SCHEMBL1125092 | 0.79 | SMN1; SMN2 (0.37) | ALDH1A1MAPTKDM4ESMN1; SMN2CA1 |
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-106068254-B | The manufacturing method and manufacture device of dicyanobenzenes | 三菱瓦斯化学株式会社 | 2018-05-18 | — | — | CN | disclosed |