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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | GGPS1 | O95749 | 2/20 | 0.35 |
| ▸ | PLK1 | P53350 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.33 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29252526 | 0.89 | TP53 (0.40) | TP53KMT2ACA2ALDH1A1KDM4E | |
| SCHEMBL29407957 | 0.89 | TP53 (0.50) | TP53CA2ALDH1A1KDM4EGGPS1 | |
| SCHEMBL514918 | 0.89 | TP53 (0.50) | TP53CA2ALDH1A1KDM4EGGPS1 | |
| SCHEMBL29251643 | 0.86 | GGPS1 (0.41) | MEN1KMT2ACA2ALDH1A1KDM4E | |
| SCHEMBL29251759 | 0.86 | CYP2D6 (0.39) | TP53ALDH1A1KDM4ECYP2D6GGPS1 | |
| SCHEMBL29252370 | 0.83 | GGPS1 (0.48) | MEN1KMT2ACA2ALDH1A1KDM4E | |
| Sulfuric Acid SCHEMBL29203158 | 0.82 | KDM4E (0.38) | TP53MEN1KMT2ACA2ALDH1A1 | |
| SCHEMBL29251634 | 0.81 | LMNA (0.51) | ALDH1A1KDM4ENPSR1 | |
| SCHEMBL29252876 | 0.81 | LMNA (0.51) | ALDH1A1KDM4ENPSR1 | |
| SCHEMBL29251820 | 0.81 | CA2 (0.41) | TP53MEN1KMT2ACA2ALDH1A1 |
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-117999475-A | Electrochemical gas sensor and electrolyte for electrochemical gas sensor | 德尔格安全股份两合公司 | 2024-05-07 | — | — | CN | disclosed |