Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 1.00 |
| ▸ | TSHR | P16473 | 6/20 | 1.00 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | TP53 | P04637 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | NPY1R | P25929 | 1/20 | 0.59 |
| ▸ | NPY2R | P49146 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | ATM | Q13315 | 1/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL29387332 | 1.00 | ALDH1A1 (1.00) | ALDH1A1TSHRMAPTTP53MEN1 | |
| SCHEMBL42787 | 1.00 | ALDH1A1 (1.00) | ALDH1A1TSHRMAPTTP53MEN1 | |
| Ammonia Solution, Strong SCHEMBL28046886 | 0.98 | ALDH1A1 (0.96) | ALDH1A1TSHRMAPTTP53MEN1 | |
| SCHEMBL27494884 | 0.98 | ALDH1A1 (0.96) | ALDH1A1TSHRMAPTTP53MEN1 | |
| SCHEMBL27345462 | 0.98 | ALDH1A1 (0.96) | ALDH1A1TSHRMAPTTP53MEN1 | |
| Acetic Acid SCHEMBL28172110 | 0.94 | ALDH1A1 (0.89) | ALDH1A1TSHRMAPTTP53MEN1 | |
| SCHEMBL5987707 | 0.94 | ALDH1A1 (0.89) | ALDH1A1TSHRMAPTTP53MEN1 | |
| Biphenyl SCHEMBL23023808 | 0.93 | ALDH1A1 (0.86) | ALDH1A1TSHRMAPTTP53MEN1 | |
| SCHEMBL226501 | 0.93 | ALDH1A1 (0.86) | ALDH1A1TSHRMAPTTP53MEN1 | |
| SCHEMBL20511764 | 0.93 | ALDH1A1 (0.86) | ALDH1A1TSHRMAPTTP53MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023005682-A1 | METHOD FOR ANALYZING TARGETED EXPOSURE GROUP OF ENVIRONMENTAL POLLUTANTS IN PLASMA, AND USE THEREOF | 暨南大学 | 2023-02-02 | — | — | WO | disclosed |
| CN-110407699-A | A kind of neutralization technique of diisobutyl phthalate production | DANYANG CITY AUX CHEMICAL PLANT CO LTD | 2019-11-05 | — | — | CN | disclosed |
| US-6022946-A | AND INCORPORATING INTO THE DEACTIVATED POLYOLEFIN POLYMER AN ACID ACCEPTOR AND AT LEAST ONE SECONDARY ANTIOXIDANT. | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2000-02-08 | — | — | US | disclosed |