Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.53 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.53 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.53 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 7/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL11188525 | 0.82 | ALDH1A1 (0.53) | ALDH1A1CYP3A4TDP1TSHRHPGD | |
| SCHEMBL29439786 | 0.81 | TDP1 (0.61) | ALDH1A1CYP3A4TDP1TSHRHPGD | |
| SCHEMBL30358860 | 0.81 | CYP3A4 (0.51) | ALDH1A1CYP3A4TDP1TSHRHPGD | |
| SCHEMBL116785 | 0.81 | ALDH1A1 (0.56) | ALDH1A1CYP3A4TDP1TSHRHPGD | |
| SCHEMBL2371582 | 0.81 | ALDH1A1 (0.51) | ALDH1A1CYP3A4TDP1TSHRHPGD | |
| SCHEMBL573358 | 0.81 | ALDH1A1 (0.51) | ALDH1A1CYP3A4TDP1TSHRHPGD | |
| SCHEMBL10280706 | 0.81 | ALDH1A1 (0.51) | ALDH1A1CYP3A4TDP1TSHRHPGD | |
| SCHEMBL572768 | 0.81 | CYP3A4 (0.51) | ALDH1A1CYP3A4TDP1TSHRHPGD | |
| SCHEMBL572669 | 0.81 | TDP1 (0.61) | ALDH1A1CYP3A4TDP1TSHRHPGD | |
| SCHEMBL30788051 | 0.81 | ALDH1A1 (0.51) | ALDH1A1CYP3A4TDP1TSHRHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017045616-A1 | ISOTHIAZOLE DERIVATIVE PIM KINASE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MEDICINE PREPARATION | 上海吉铠医药科技有限公司 | 2017-03-23 | — | — | WO | disclosed |