Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 6/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15015164 | 1.00 | ALDH1A1 (0.42) | ALDH1A1TDP1CYP3A4TSHRMEN1 | |
| SCHEMBL28054973 | 0.86 | POLB (0.46) | ALDH1A1MEN1KMT2AMAPTGAA | |
| SCHEMBL27727905 | 0.85 | TBXA2R (0.41) | ALDH1A1TDP1TSHRMEN1KMT2A | |
| SCHEMBL29414896 | 0.84 | ALDH1A1 (0.49) | ALDH1A1TDP1CYP3A4TSHRMEN1 | |
| SCHEMBL1192691 | 0.84 | ALDH1A1 (0.49) | ALDH1A1TDP1CYP3A4TSHRMEN1 | |
| SCHEMBL29083270 | 0.81 | KDR (0.57) | — | |
| SCHEMBL24168282 | 0.81 | PDE7A (0.45) | ALDH1A1TDP1CYP3A4TSHRMEN1 | |
| SCHEMBL29414899 | 0.81 | PDE7A (0.45) | ALDH1A1TDP1CYP3A4TSHRMEN1 | |
| SCHEMBL30127582 | 0.81 | ALDH1A1 (0.42) | ALDH1A1TDP1CYP3A4TSHRMEN1 | |
| SCHEMBL1193072 | 0.80 | KDR (0.42) | MEN1KMT2AMAPTGAAPKM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114031619-A | Preparation method of intermediate of Tecatinib | 山东汇海医药化工有限公司 | 2022-02-11 | — | — | CN | claimed |
| CN-114031619-A | Preparation method of intermediate of Tecatinib | 山东汇海医药化工有限公司 | 2022-02-11 | — | — | CN | disclosed |