Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL746207 | 1.00 | NPSR1 (0.40) | NPSR1CA2PAOXSIGMAR1CHRM2 | |
| Hydrochloric Acid SCHEMBL5443087 | 0.97 | NPSR1 (0.39) | NPSR1CA2PAOXSIGMAR1CHRM2 | |
| Sulfuric Acid SCHEMBL11137355 | 0.90 | NPSR1 (0.46) | NPSR1PAOXCHRM2CHRM4CHRM5 | |
| Sulfuric Acid SCHEMBL1334876 | 0.90 | NPSR1 (0.46) | NPSR1PAOXCHRM2CHRM4CHRM5 | |
| Sulfuric Acid SCHEMBL27883463 | 0.90 | NPSR1 (0.46) | NPSR1PAOXCHRM2CHRM4CHRM5 | |
| Sulfuric Acid SCHEMBL29289482 | 0.90 | NPSR1 (0.46) | NPSR1PAOXCHRM2CHRM4CHRM5 | |
| Sulfuric Acid SCHEMBL16059228 | 0.90 | NPSR1 (0.46) | NPSR1PAOXCHRM2CHRM4CHRM5 | |
| Sulfuric Acid SCHEMBL11137352 | 0.90 | NPSR1 (0.46) | NPSR1PAOXCHRM2CHRM4CHRM5 | |
| Sulfuric Acid SCHEMBL78884 | 0.90 | NPSR1 (0.46) | NPSR1PAOXCHRM2CHRM4CHRM5 | |
| SCHEMBL28276952 | 0.89 | NPSR1 (0.35) | NPSR1CA2PAOX |
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 |
|---|---|---|---|---|---|---|---|
| CN-107428776-A | Production of 4,5,6, 7-tetrahydroisoxazolo [5,4-c ] pyridin-3-ol | H.隆德贝克有限公司 | 2017-12-01 | — | — | CN | disclosed |