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 | |
|---|---|---|---|---|
| ▸ | F2 known ✓ | P00734 | 3/20 | 0.49 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.46 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.46 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.46 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.46 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.46 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.46 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.46 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.46 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.46 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.46 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.46 |
| ▸ | MCL1 known ✓ | Q07820 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.67 |
| ▸ | TSHR | P16473 | 2/20 | 0.67 |
| ▸ | RECQL | P46063 | 2/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.67 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL28184301 | 0.82 | HSD17B10 (0.88) | ALDH1A1CYP3A4TSHRRECQLHSD17B10 | |
| SCHEMBL184648 | 0.82 | HSD17B10 (1.00) | ALDH1A1CYP3A4TSHRRECQLHSD17B10 | |
| SCHEMBL8872103 | 0.82 | HSD17B10 (1.00) | ALDH1A1CYP3A4TSHRRECQLHSD17B10 | |
| SCHEMBL14544494 | 0.80 | CA1 (0.66) | ALDH1A1CYP3A4TSHRRECQLHSD17B10 | |
| SCHEMBL11291920 | 0.79 | HSD17B10 (0.93) | ALDH1A1CYP3A4TSHRRECQLHSD17B10 | |
| SCHEMBL2808115 | 0.79 | HSD17B10 (0.93) | ALDH1A1CYP3A4TSHRRECQLHSD17B10 | |
| SCHEMBL28244966 | 0.79 | HSD17B10 (0.93) | ALDH1A1CYP3A4TSHRRECQLHSD17B10 | |
| SCHEMBL20380030 | 0.79 | HSD17B10 (0.93) | ALDH1A1CYP3A4TSHRRECQLHSD17B10 | |
| SCHEMBL29827111 | 0.79 | HSD17B10 (0.93) | ALDH1A1CYP3A4TSHRRECQLHSD17B10 | |
| Acetic Acid SCHEMBL28402484 | 0.78 | HSD17B10 (0.70) | ALDH1A1CYP3A4TSHRRECQLHSD17B10 |
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-105849155-B | Composition for optical material and its manufacturing method | 三菱瓦斯化学株式会社 | 2018-06-05 | — | — | CN | disclosed |
| CN-105849155-A | Optical material composition and method for producing same | 三菱瓦斯化学株式会社 | 2016-08-10 | — | — | CN | disclosed |