Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.39 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.39 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.38 |
| ▸ | PGK1 | P00558 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL57316 | 0.80 | TSHR (0.48) | TSHRMAPK1ALDH1A1CYP3A4TDP1 | |
| SCHEMBL29467181 | 0.80 | TSHR (0.48) | TSHRMAPK1ALDH1A1CYP3A4TDP1 | |
| SCHEMBL2067492 | 0.80 | TDP1 (0.48) | TSHRMAPK1ALDH1A1CYP3A4PIN1 | |
| SCHEMBL3061406 | 0.78 | ALDH1A1 (0.49) | TSHRMAPK1ALDH1A1CYP3A4TDP1 | |
| SCHEMBL30515386 | 0.78 | ALDH1A1 (0.49) | TSHRMAPK1ALDH1A1CYP3A4TDP1 | |
| SCHEMBL1588832 | 0.77 | ALDH1A1 (0.49) | TSHRMAPK1ALDH1A1CYP3A4TDP1 | |
| SCHEMBL12391630 | 0.77 | TSHR (0.46) | TSHRMAPK1ALDH1A1CYP3A4TDP1 | |
| SCHEMBL619628 | 0.77 | TSHR (0.46) | TSHRMAPK1ALDH1A1CYP3A4PIN1 | |
| SCHEMBL30808757 | 0.77 | TSHR (0.46) | TSHRMAPK1ALDH1A1CYP3A4PIN1 | |
| SCHEMBL15541227 | 0.77 | MAPT (0.41) | MAPK1ALDH1A1CYP3A4PIN1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023211256-A1 | NOVEL PIM KINASE INHIBITORS AND USES THEREOF | 제일약품주식회사 | 2023-11-02 | — | — | WO | disclosed |
| CN-116351100-A | System and method for extracting nitro reaction product by supercritical carbon dioxide | 天津凯莱英医药科技发展有限公司 | 2023-06-30 | — | — | CN | disclosed |