Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16691548 | 0.82 | AKR1B1 (0.43) | HSP90AA1TDP1CHRNB4CHRNA3ALDH1A1 | |
| SCHEMBL28863681 | 0.79 | ALDH1A1 (0.41) | HSP90AA1TDP1CHRNB4CHRNA3ALDH1A1 | |
| SCHEMBL9767148 | 0.74 | HIF1A (0.39) | HSP90AA1TDP1CHRNB4CHRNA3ALDH1A1 | |
| SCHEMBL9767152 | 0.74 | HIF1A (0.39) | HSP90AA1TDP1CHRNB4CHRNA3ALDH1A1 | |
| SCHEMBL5695096 | 0.74 | MAOB (0.38) | TDP1ALDH1A1SMN1; SMN2HPGDAKR1B1 | |
| SCHEMBL28873785 | 0.73 | ALDH1A1 (0.38) | HSP90AA1ALDH1A1TSHRHIF1ASMN1; SMN2 | |
| SCHEMBL6016232 | 0.72 | KMT2A (0.43) | HSP90AA1TDP1CHRNB4CHRNA3ALDH1A1 | |
| SCHEMBL11613063 | 0.72 | ABCC9 (0.42) | HSP90AA1TDP1CHRNB4CHRNA3ALDH1A1 | |
| SCHEMBL9144518 | 0.72 | ABCC9 (0.42) | HSP90AA1TDP1CHRNB4CHRNA3ALDH1A1 | |
| SCHEMBL11613059 | 0.72 | ABCC9 (0.42) | HSP90AA1TDP1CHRNB4CHRNA3ALDH1A1 |
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-109867645-A | A kind of synthetic method of 2,2- bis- fluoro- 2,3- dihydro substitution benzofuran compounds | 中国医学科学院药物研究所 | 2019-06-11 | — | — | CN | disclosed |