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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 known ✓ | P00734 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.31 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.31 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 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 SCHEMBL27863839 | 0.87 | ALDH1A1 (0.53) | ALDH1A1USP2TSHRCA2DGAT1 | |
| SCHEMBL28223204 | 0.84 | USP2 (0.37) | ALDH1A1USP2TSHRCA2F2 | |
| Methoxymethane SCHEMBL1185067 | 0.78 | — | — | |
| Methyl Alcohol SCHEMBL1151710 | 0.73 | — | — | |
| SCHEMBL9282077 | 0.73 | ALDH1A1 (0.53) | ALDH1A1TSHRCA2DGAT1CA12 | |
| SCHEMBL8596055 | 0.73 | CA2 (0.58) | ALDH1A1USP2TSHRCA2CA12 | |
| SCHEMBL6223 | 0.73 | — | — | |
| SCHEMBL503396 | 0.73 | — | — | |
| SCHEMBL25599 | 0.73 | CA2 (0.58) | ALDH1A1USP2TSHRCA2CA12 | |
| SCHEMBL246838 | 0.73 | CA2 (0.58) | ALDH1A1USP2TSHRCA2CA12 |
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-103626693-B | One class pleuromutilin derivative, its pharmaceutical composition and synthetic method thereof and purposes | 中国科学院上海药物研究所 | 2016-09-14 | — | — | CN | disclosed |