Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | GFER | P55789 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.50 |
| ▸ | NOS3 | P29474 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.46 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.46 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL54121 | 0.94 | — | — | |
| SCHEMBL28362411 | 0.92 | ALDH1A1 (0.55) | TSHRALDH1A1CYP3A4GFERTDP1 | |
| Hydrochloric Acid SCHEMBL864912 | 0.92 | ALDH1A1 (0.55) | TSHRALDH1A1CYP3A4GFERTDP1 | |
| Nitrogen SCHEMBL28369296 | 0.89 | ALDH1A1 (0.52) | TSHRALDH1A1CYP3A4GFERTDP1 | |
| SCHEMBL1309905 | 0.86 | CYP3A4 (0.58) | TSHRALDH1A1CYP3A4GFERTDP1 | |
| SCHEMBL28811523 | 0.86 | TSHR (0.50) | TSHRALDH1A1CYP3A4GFERTDP1 | |
| Bicarbonate SCHEMBL932925 | 0.84 | TSHR (0.48) | TSHRALDH1A1CYP3A4GFERTDP1 | |
| Sulfuric Acid SCHEMBL28338120 | 0.82 | CA1 (0.56) | TSHRALDH1A1CYP3A4GFERTDP1 | |
| SCHEMBL23748641 | 0.80 | LTA4H (0.65) | TSHRALDH1A1CYP3A4GFERTDP1 | |
| SCHEMBL12653890 | 0.80 | MAPT (0.64) | TSHRALDH1A1CYP3A4GFERTDP1 |
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-103501819-B | Bisphosphonate-prodrugs | KTB肿瘤研究有限责任公司 | 2016-08-17 | — | — | CN | disclosed |