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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MC4R | P32245 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL31376096 | 0.95 | MAPK1 (0.42) | PDE4APDE4BPDE4CPDE4DMAPK1 | |
| SCHEMBL28041594 | 0.90 | PDE4A (0.44) | PDE4APDE4BPDE4CPDE4DMAPK1 | |
| SCHEMBL2837428 | 0.90 | MAPK1 (0.36) | MAPK1KMT2AMC4RLMNABRD4 | |
| Bicarbonate SCHEMBL28977799 | 0.89 | NOTUM (0.41) | KMT2ACYP2D6TSHRMC4RLMNA | |
| SCHEMBL667066 | 0.88 | MC4R (0.46) | MC4RLMNAALDH1A1POLB | |
| Trifluoromethanesulfonic Acid SCHEMBL28181600 | 0.88 | PDK1 (0.36) | MAPK1CYP2D6TSHRMC4RLMNA | |
| Bicarbonate SCHEMBL29180414 | 0.87 | NOTUM (0.41) | KMT2ACYP2D6TSHRMC4RLMNA | |
| Acetic Acid SCHEMBL27851688 | 0.87 | LMNA (0.42) | KMT2ACYP2D6TSHRMC4RLMNA | |
| Hydrochloric Acid SCHEMBL383001 | 0.87 | MC4R (0.44) | MC4RLMNAALDH1A1POLB | |
| Bromide SCHEMBL1179198 | 0.87 | MC4R (0.44) | MC4RLMNAALDH1A1POLB |
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-105209419-A | Composition for preparing terephthalic acid | RELIANCE IND LTD | 2015-12-30 | — | — | CN | disclosed |