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 | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 17/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 11/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 11/20 | 0.63 |
| ▸ | LMNA | P02545 | 2/20 | 0.63 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.63 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.63 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.63 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.63 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.63 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.61 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.61 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.61 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.61 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.56 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29357899 | 1.00 | CYP3A4 (0.63) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL28847757 | 1.00 | CYP3A4 (0.63) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL7478959 | 0.93 | CYP3A4 (0.70) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL7537507 | 0.93 | CYP3A4 (0.70) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL30485092 | 0.93 | CYP3A4 (0.70) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL2912761 | 0.93 | CYP3A4 (0.70) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL10597737 | 0.93 | CYP3A4 (0.70) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL18717940 | 0.93 | CYP3A4 (0.70) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL2566503 | 0.93 | CYP3A4 (0.70) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL1824105 | 0.93 | CYP3A4 (0.70) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 |
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-114094166-A | Lithium ion battery non-aqueous electrolyte and lithium ion battery | 北京胜能能源科技有限公司 | 2022-02-25 | — | — | CN | claimed |
| CN-114094166-A | Lithium ion battery non-aqueous electrolyte and lithium ion battery | 北京胜能能源科技有限公司 | 2022-02-25 | — | — | CN | disclosed |