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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL18879399 | 0.86 | TDP1 (0.38) | ALDH1A1TDP1LMNANLRP3TSHR | |
| SCHEMBL486467 | 0.84 | — | — | |
| Iodide SCHEMBL3791317 | 0.82 | — | — | |
| Water SCHEMBL7594635 | 0.82 | — | — | |
| Acetic Acid SCHEMBL28272591 | 0.81 | TSHR (0.38) | ALDH1A1LMNANLRP3TSHRNPSR1 | |
| Formamide SCHEMBL23636189 | 0.77 | ALDH1A1 (0.33) | ALDH1A1TSHRNPSR1 | |
| SCHEMBL2702033 | 0.77 | TDP1 (0.45) | TDP1LMNANLRP3KDM4ETHRB | |
| SCHEMBL27833603 | 0.75 | POLB (0.34) | ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL27570535 | 0.75 | TDP1 (0.44) | TDP1LMNANLRP3KDM4ETHRB | |
| SCHEMBL4946725 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109504015-A | Electrochromic polymeric compounds material based on combined strategy and prepare electrochromic device | 常州铱视光电科技有限公司 | 2019-03-22 | — | — | CN | claimed |
| CN-109504015-A | Electrochromic polymeric compounds material based on combined strategy and prepare electrochromic device | 常州铱视光电科技有限公司 | 2019-03-22 | — | — | CN | disclosed |
| CN-108795407-A | Based on the electroluminescent sour electrochromic material acted on and prepare electrochromic device | 常州铱视光电科技有限公司 | 2018-11-13 | — | — | CN | disclosed |