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 | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.46 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.46 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.46 |
| ▸ | CXCR4 | P61073 | 6/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | SCN1A | P35498 | 1/20 | 0.43 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.43 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29252988 | 1.00 | S1PR1 (0.46) | S1PR1S1PR3S1PR5CXCR4TSHR | |
| SCHEMBL29252492 | 1.00 | S1PR1 (0.46) | S1PR1S1PR3S1PR5CXCR4TSHR | |
| SCHEMBL29252793 | 1.00 | S1PR1 (0.46) | S1PR1S1PR3S1PR5CXCR4TSHR | |
| SCHEMBL29252497 | 1.00 | S1PR1 (0.46) | S1PR1S1PR3S1PR5CXCR4TSHR | |
| SCHEMBL29252616 | 1.00 | S1PR1 (0.46) | S1PR1S1PR3S1PR5CXCR4TSHR | |
| SCHEMBL29252044 | 1.00 | S1PR1 (0.46) | S1PR1S1PR3S1PR5CXCR4TSHR | |
| SCHEMBL29252891 | 0.98 | CXCR4 (0.47) | S1PR1S1PR3S1PR5CXCR4TSHR | |
| SCHEMBL29252673 | 0.95 | S1PR1 (0.49) | S1PR1S1PR3S1PR5CXCR4TSHR | |
| SCHEMBL29251863 | 0.95 | S1PR1 (0.49) | S1PR1S1PR3S1PR5CXCR4TSHR | |
| SCHEMBL29252216 | 0.95 | S1PR1 (0.49) | S1PR1S1PR3S1PR5CXCR4TSHR |
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 |