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 | |
|---|---|---|---|---|
| ▸ | GRIN2D known ✓ | O15399 | 4/20 | 0.40 |
| ▸ | GRIN3B known ✓ | O60391 | 4/20 | 0.40 |
| ▸ | GRIN1 known ✓ | Q05586 | 4/20 | 0.40 |
| ▸ | GRIN2A known ✓ | Q12879 | 4/20 | 0.40 |
| ▸ | GRIN2B known ✓ | Q13224 | 4/20 | 0.40 |
| ▸ | GRIN2C known ✓ | Q14957 | 4/20 | 0.40 |
| ▸ | GRIN3A known ✓ | Q8TCU5 | 4/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL1026038 | 0.93 | BLM (0.44) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Sulfuric Acid SCHEMBL951530 | 0.93 | BLM (0.44) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Sulfuric Acid SCHEMBL28092122 | 0.91 | BLM (0.42) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL34049 | 0.84 | — | — | |
| SCHEMBL1793572 | 0.84 | — | — | |
| Urea SCHEMBL27941571 | 0.82 | GRIN2D (0.44) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Hydrochloric Acid SCHEMBL3193405 | 0.82 | — | — | |
| Sulfuric Acid SCHEMBL11558296 | 0.80 | GRIN2D (0.42) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Acetic Acid SCHEMBL28832296 | 0.78 | GRIN2D (0.41) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Sulfuric Acid SCHEMBL11565543 | 0.74 | GRIN2D (0.44) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B |
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-1138764-C | Isoxazole derivatives | ס����ҩ��ʽ���� | 2004-02-18 | — | — | CN | disclosed |
| CN-1252794-A | Isoxazole derivatives | SUMITOMO PHARMA (JP) | 2000-05-10 | — | — | CN | disclosed |