Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.68 |
| ▸ | TSHR | P16473 | 5/20 | 0.68 |
| ▸ | LMNA | P02545 | 4/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.66 |
| ▸ | TP53 | P04637 | 1/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.51 |
| ▸ | HTR2B | P41595 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL28493926 | 0.89 | ALDH1A1 (0.68) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| Sulfuric Acid SCHEMBL27302890 | 0.86 | ALDH1A1 (0.87) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL6267333 | 0.84 | ALDH1A1 (0.79) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL9636466 | 0.84 | ALDH1A1 (0.79) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL2853795 | 0.84 | ALDH1A1 (0.79) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL17961072 | 0.84 | ALDH1A1 (0.79) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL12816232 | 0.84 | ALDH1A1 (0.79) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL527255 | 0.84 | ALDH1A1 (0.79) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL4409053 | 0.84 | ALDH1A1 (0.79) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL17961070 | 0.84 | ALDH1A1 (0.79) | ALDH1A1TSHRLMNACYP3A4MAPK1 |
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-110152714-A | A kind of catalyst and its application method producing isobutyl amine and di-iso-butylmanice | 浙江建业化工股份有限公司 | 2019-08-23 | — | — | CN | disclosed |