Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Dinitrophenylene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 known ✓ | P00734 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 4/20 | 0.71 |
| ▸ | LMNA | P02545 | 1/20 | 0.71 |
| ▸ | CA2 | P00918 | 2/20 | 0.61 |
| ▸ | CA1 | P00915 | 1/20 | 0.61 |
| ▸ | MMP1 | P03956 | 1/20 | 0.61 |
| ▸ | MMP2 | P08253 | 1/20 | 0.61 |
| ▸ | MMP9 | P14780 | 1/20 | 0.61 |
| ▸ | MMP8 | P22894 | 1/20 | 0.61 |
| ▸ | MMP13 | P45452 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | HTT | P42858 | 2/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | CES2 | O00748 | 1/20 | 0.60 |
| ▸ | CES1 | P23141 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.59 |
| ▸ | ACHE | P22303 | 1/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.59 |
| ▸ | CA5A | P35218 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| Dinitrophenylene SCHEMBL34066 | 0.91 | TSHR (0.77) | TSHRLMNACA2CA1MMP1 | |
| Dinitrophenylene SCHEMBL27494392 | 0.88 | TSHR (0.65) | TSHRLMNACA2CA1MMP1 | |
| Dinitrophenylene SCHEMBL11883873 | 0.88 | TSHR (0.71) | TSHRLMNACA2CA1MMP1 | |
| Dinitrophenylene SCHEMBL9798067 | 0.88 | TSHR (0.71) | TSHRLMNACA2CA1MMP1 | |
| SCHEMBL28701812 | 0.87 | TSHR (0.53) | TSHRLMNACA2CA1MMP1 | |
| Dinitrophenylene SCHEMBL27442892 | 0.87 | TSHR (0.85) | TSHRLMNAKMT2AHTTGAA | |
| Nitrobenzene SCHEMBL27560682 | 0.85 | ALDH1A1 (0.70) | TSHRLMNACA2CA1MMP1 | |
| SCHEMBL28485485 | 0.84 | CA2 (0.84) | LMNACA2CA1MMP1MMP2 | |
| SCHEMBL29431934 | 0.84 | CA2 (0.84) | LMNACA2CA1MMP1MMP2 | |
| Dinitrophenylene SCHEMBL29291896 | 0.84 | TSHR (1.00) | TSHRLMNACA2KMT2AHTT |
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-113185432-A | Photodecomposable compounds, photoresist compositions and methods for making integrated circuit devices | 三星电子株式会社 | 2021-07-30 | — | — | CN | disclosed |
| CN-113135873-A | Photodecomposable compounds, photoresist compositions and methods for making integrated circuit devices | 三星电子株式会社 | 2021-07-20 | — | — | CN | disclosed |