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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL826790 | 0.89 | ALDH1A1 (0.44) | ALDH1A1ALOX15SMN1; SMN2LMNATAAR1 | |
| SCHEMBL28297965 | 0.84 | ALDH1A1 (0.38) | ALDH1A1ALOX15SMN1; SMN2LMNATAAR1 | |
| SCHEMBL826560 | 0.80 | ALDH1A1 (0.41) | ALDH1A1ALOX15SMN1; SMN2LMNATAAR1 | |
| SCHEMBL827157 | 0.72 | ALDH1A1 (0.39) | ALDH1A1ALOX15SMN1; SMN2LMNATAAR1 | |
| SCHEMBL11373811 | 0.70 | SMN1; SMN2 (0.46) | ALDH1A1ALOX15SMN1; SMN2TAAR1NPC1 | |
| SCHEMBL19277217 | 0.70 | ALDH1A1 (0.47) | ALDH1A1ALOX15SMN1; SMN2NPC1RAB9A | |
| SCHEMBL10399369 | 0.69 | ALDH1A1 (0.46) | ALDH1A1ALOX15SMN1; SMN2TAAR1NPC1 | |
| SCHEMBL4395085 | 0.69 | ALDH1A1 (0.56) | ALDH1A1ALOX15SMN1; SMN2LMNATAAR1 | |
| SCHEMBL21467006 | 0.68 | ALDH1A1 (0.50) | ALDH1A1ALOX15SMN1; SMN2TAAR1TDP1 | |
| SCHEMBL2588454 | 0.67 | ALDH1A1 (0.53) | ALDH1A1ALOX15SMN1; SMN2LMNATSHR |
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-104284884-B | Fluoro-substituted (3R,4R,5S) -5-guanidino-4-acetamido-3- (pentan-3-yloxy) cyclohexene-1-carboxylic acids, esters thereof and uses thereof | 阿斯阿维有限责任公司 | 2016-07-13 | — | — | CN | disclosed |