Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | MMP8 | P22894 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4644411 | 1.00 | KMT2A (0.54) | KMT2ANPC1MEN1PIN1ALDH1A1 | |
| SCHEMBL28762874 | 0.86 | NPC1 (0.54) | KMT2ANPC1MEN1PIN1ALDH1A1 | |
| SCHEMBL146504 | 0.83 | TSHR (0.52) | KMT2ANPC1MEN1ALDH1A1MAPT | |
| SCHEMBL28227841 | 0.82 | NPC1 (0.50) | KMT2ANPC1MEN1PIN1ALDH1A1 | |
| SCHEMBL2680550 | 0.82 | PGR (0.50) | KMT2ANPC1MEN1ALDH1A1MAPT | |
| SCHEMBL10606039 | 0.82 | SMN1; SMN2 (0.46) | KMT2ANPC1MEN1ALDH1A1HRH1 | |
| SCHEMBL10604429 | 0.82 | LMNA (0.51) | KMT2ANPC1MEN1ALDH1A1MAPT | |
| SCHEMBL2098734 | 0.80 | NPC1 (0.59) | KMT2ANPC1MEN1PIN1ALDH1A1 | |
| SCHEMBL27715083 | 0.80 | NPC1 (0.59) | KMT2ANPC1MEN1PIN1ALDH1A1 | |
| SCHEMBL28226195 | 0.80 | NPC1 (0.59) | KMT2ANPC1MEN1PIN1ALDH1A1 |
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-108728421-B | Carbonyl reductase mutant and application thereof | 中国科学院成都生物研究所 | 2021-12-28 | — | — | CN | disclosed |