Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2229816 | 0.96 | — | — | |
| Fluoride SCHEMBL29210793 | 0.93 | TSHR (0.39) | TSHRALDH1A1SMN1; SMN2DNM1 | |
| Methane SCHEMBL27754597 | 0.93 | TSHR (0.39) | TSHRALDH1A1SMN1; SMN2DNM1 | |
| Bromide SCHEMBL27728857 | 0.93 | TSHR (0.39) | TSHRALDH1A1SMN1; SMN2DNM1 | |
| Hydrochloric Acid SCHEMBL27886331 | 0.93 | TSHR (0.39) | TSHRALDH1A1SMN1; SMN2DNM1 | |
| Benzene SCHEMBL28152757 | 0.89 | TSHR (0.36) | TSHRALDH1A1SMN1; SMN2DNM1 | |
| Cyclohexane SCHEMBL28501260 | 0.89 | TSHR (0.36) | TSHRALDH1A1SMN1; SMN2DNM1 | |
| SCHEMBL11831237 | 0.87 | TSHR (0.44) | TSHRALDH1A1DNM1 | |
| SCHEMBL8925265 | 0.81 | — | — | |
| SCHEMBL10179623 | 0.77 | — | — |
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-108299419-A | A kind of several novel crystal forms of new E GFR kinase inhibitors and preparation method thereof | 南京圣和药业股份有限公司 | 2018-07-20 | — | — | CN | disclosed |