Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Itaconate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | LDHA | P00338 | 1/20 | 0.38 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.38 |
| ▸ | TET2 | Q6N021 | 5/20 | 0.37 |
| ▸ | TET3 | O43151 | 1/20 | 0.34 |
| ▸ | TET1 | Q8NFU7 | 1/20 | 0.34 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.33 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.33 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | FNTA | P49354 | 1/20 | 0.32 |
| ▸ | FNTB | P49356 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Itaconate SCHEMBL28109191 | 0.92 | ALOX15 (0.62) | ALOX15HSD17B10LDHASRRTET2 | |
| Itaconate SCHEMBL5447650 | 0.87 | ALOX15 (0.68) | ALOX15HSD17B10LDHASRRTET2 | |
| Itaconate SCHEMBL29886131 | 0.87 | — | — | |
| Itaconate SCHEMBL286967 | 0.87 | ALOX15 (0.75) | ALOX15HSD17B10LDHASRRTET2 | |
| Itaconate SCHEMBL21523 | 0.87 | — | — | |
| Itaconate SCHEMBL5875036 | 0.84 | ALOX15 (0.65) | ALOX15HSD17B10LDHASRRTET2 | |
| Itaconate SCHEMBL5875042 | 0.84 | ALOX15 (0.65) | ALOX15HSD17B10LDHASRRTET2 | |
| Itaconate SCHEMBL11694987 | 0.84 | ALOX15 (0.65) | ALOX15HSD17B10LDHASRRTET2 | |
| Itaconate SCHEMBL5874823 | 0.84 | ALOX15 (0.65) | ALOX15HSD17B10LDHASRRTET2 | |
| Itaconate SCHEMBL2564169 | 0.84 | ALOX15 (0.65) | ALOX15HSD17B10LDHASRRTET2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115724758-A | Camptothecin derivative intermediate, synthetic method thereof and method for synthesizing camptothecin derivative by using intermediate | 杭州中美华东制药有限公司 | 2023-03-03 | — | — | CN | claimed |
| CN-111875517-B | Intermediate for synthesizing camptothecin derivative, preparation method and application thereof | 上海皓元生物医药科技有限公司 | 2022-10-28 | — | — | CN | disclosed |
| CN-111875517-A | Intermediate for synthesizing camptothecin derivative and preparation method and application thereof | 上海皓元生物医药科技有限公司 | 2020-11-03 | — | — | CN | disclosed |
| CN-111470998-B | Intermediate for synthesizing camptothecin derivative and preparation method and application thereof | 上海皓元生物医药科技有限公司 | 2020-09-25 | — | — | CN | disclosed |
| CN-111470998-A | Intermediate for synthesizing camptothecin derivative and preparation method and application thereof | 上海皓元生物医药科技有限公司 | 2020-07-31 | — | — | CN | disclosed |