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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.34 |
| ▸ | NCF1 | P14598 | 1/20 | 0.45 |
| ▸ | SMYD3 | Q9H7B4 | 10/20 | 0.38 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.38 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.38 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | NSD2 | O96028 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29252839 | 0.90 | NCF1 (0.39) | NCF1SMYD3GNAI3GNAO1GNAI1 | |
| SCHEMBL12593545 | 0.85 | NCF1 (0.46) | NCF1SMYD3GNAI3GNAO1GNAI1 | |
| SCHEMBL12515 | 0.84 | — | — | |
| SCHEMBL29252957 | 0.84 | GNAI3 (0.46) | NCF1SMYD3GNAI3GNAO1GNAI1 | |
| Hydrochloric Acid SCHEMBL4874119 | 0.83 | INPP5A (0.47) | NCF1SMYD3GNAI3GNAO1GNAI1 | |
| SCHEMBL12439743 | 0.83 | NCF1 (0.48) | NCF1GNAI3GNAO1GNAI1NSD2 | |
| SCHEMBL29252167 | 0.82 | EPHX1 (0.43) | SMYD3GNAI3GNAO1GNAI1 | |
| SCHEMBL10766978 | 0.82 | INPP5A (0.41) | TP53 | |
| Fluoride SCHEMBL30212826 | 0.82 | NCF1 (0.56) | NCF1GNAI3GNAO1GNAI1ACHE | |
| Hydrochloric Acid SCHEMBL30330886 | 0.82 | NCF1 (0.56) | NCF1GNAI3GNAO1GNAI1ACHE |
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-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 |
| WO-2023046704-A1 | ELECTROCHEMICAL GAS SENSOR AND ELECTROLYTE FOR AN ELECTROCHEMICAL GAS SENSOR | Dräger Safety AG & Co. KGaA (DE) | 2023-03-30 | — | — | WO | disclosed |