Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27702 | 0.82 | — | — | |
| SCHEMBL190439 | 0.82 | — | — | |
| SCHEMBL27833417 | 0.82 | KMT2A (0.45) | ALDH1A1KMT2A | |
| SCHEMBL27471975 | 0.80 | ALDH1A1 (0.69) | ALDH1A1KMT2ATDP1 | |
| Ammonia Solution, Strong SCHEMBL15742962 | 0.79 | — | — | |
| Trimethylammonium SCHEMBL1905840 | 0.78 | KMT2A (0.43) | ALDH1A1KMT2A | |
| Ether SCHEMBL7670691 | 0.74 | KMT2A (0.52) | ALDH1A1KMT2A | |
| Allyl Alcohol SCHEMBL28109758 | 0.73 | TSHR (0.45) | ALDH1A1KMT2ATSHR | |
| Urea SCHEMBL11500350 | 0.71 | MAPT (0.38) | ALDH1A1KMT2ATSHR | |
| Acetonitrile SCHEMBL28276778 | 0.71 | ALDH1A1 (0.76) | ALDH1A1KMT2A |
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-107108548-A | Using its E, Z isomer mixtures and intermediate obtain the Stereoselective method of the olefin(e) acid methyl nitrosourea of (Z) 5 ring group epoxide 2 [(E) methoxyimino] 3 methylpent 3 | 巴斯夫欧洲公司 | 2017-08-29 | — | — | CN | disclosed |