Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Ammonia Solution, Strong. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | PPARA | Q07869 | 2/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 8/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 2/20 | 0.37 |
| ▸ | ADH1B | P00325 | 1/20 | 0.37 |
| ▸ | ADH1C | P00326 | 1/20 | 0.37 |
| ▸ | ADH1A | P07327 | 1/20 | 0.37 |
| ▸ | ADH4 | P08319 | 1/20 | 0.37 |
| ▸ | ADH7 | P40394 | 1/20 | 0.37 |
| ▸ | CASP2 | P42575 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL27550482 | 0.93 | TP53 (0.42) | CA2CA1PPARAEPHX1FAAH | |
| Sulfuric Acid SCHEMBL27563430 | 0.93 | TP53 (0.42) | CA2CA1PPARAEPHX1FAAH | |
| Sulfuric Acid SCHEMBL28193719 | 0.91 | TP53 (0.43) | CA2CA1PPARAEPHX1FAAH | |
| Sulfuric Acid SCHEMBL17102602 | 0.91 | TP53 (0.43) | CA2CA1PPARAEPHX1FAAH | |
| SCHEMBL23647661 | 0.89 | CA2 (0.39) | CA2CA1PPARAEPHX1CA12 | |
| Trifluoromethanesulfonic Acid SCHEMBL28273248 | 0.84 | EPHX1 (0.46) | EPHX1FAAH | |
| Ammonia Solution, Strong SCHEMBL27408628 | 0.83 | TSHR (0.50) | EPHX1 | |
| Sulfuric Acid SCHEMBL28266774 | 0.81 | TP53 (0.41) | CA2CA1PPARACA12CA7 | |
| Hydrochloric Acid SCHEMBL27258539 | 0.81 | DNM1 (0.48) | EPHX1 | |
| Iodide SCHEMBL27837262 | 0.81 | TSHR (0.47) | EPHX1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102260312-A | Pollution-free reduction preparation method of estradiol and estradiol benzoate | — | 2011-11-30 | — | — | CN | claimed |
| CN-101974057-A | Preparation method of 16-dehydropregnenolone acetate and 16-dehydropregnenolone acetate congeners | UNIV TIANJIN | 2011-02-16 | — | — | CN | claimed |
| CN-102260312-A | Pollution-free reduction preparation method of estradiol and estradiol benzoate | — | 2011-11-30 | — | — | CN | disclosed |
| CN-101974057-A | Preparation method of 16-dehydropregnenolone acetate and 16-dehydropregnenolone acetate congeners | UNIV TIANJIN | 2011-02-16 | — | — | CN | disclosed |