Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | PLEC | Q15149 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.34 |
| ▸ | ERN1 | O75460 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | STAT3 | P40763 | 1/20 | 0.33 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.32 |
| ▸ | ABAT | P80404 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31211692 | 0.76 | ALDH1A1 (0.40) | CYP3A4TSHRRECQLKDM4EALDH1A1 | |
| SCHEMBL31211725 | 0.76 | ALDH1A1 (0.40) | CYP3A4TSHRRECQLKDM4EALDH1A1 | |
| SCHEMBL28831127 | 0.74 | ERN1 (0.41) | CYP3A4TSHRRECQLERN1 | |
| SCHEMBL27851120 | 0.72 | RECQL (0.44) | CYP3A4TSHRRECQLKDM4EALDH1A1 | |
| SCHEMBL27868063 | 0.72 | TSHR (0.44) | CYP3A4TSHRRECQLKDM4EALDH1A1 | |
| SCHEMBL27857255 | 0.72 | LMNA (0.41) | CYP3A4TSHRRECQLKDM4EALDH1A1 | |
| SCHEMBL1858187 | 0.70 | CYP1A2 (0.53) | CYP3A4KDM4EALDH1A1XDHERN1 | |
| SCHEMBL27418086 | 0.69 | KDM4E (0.45) | CYP3A4KDM4EALDH1A1XDHPTGS2 | |
| SCHEMBL1121629 | 0.69 | ALDH1A1 (0.58) | TSHRALDH1A1MAPTHPGDHTT | |
| Alcohol SCHEMBL28845727 | 0.68 | XDH (0.50) | CYP3A4KDM4EALDH1A1HPGDXDH |
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-101180290-B | Hydogrenated benzo[c] thiophene derivatives as immunomodulators | ACTELION PHARMACEUTICALS LTD | 2012-12-12 | — | — | CN | disclosed |