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 | |
|---|---|---|---|---|
| ▸ | AGTR1 known ✓ | P30556 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SLC2A1 | P11166 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10961182 | 0.85 | KEAP1 (0.35) | POLBKEAP1ALDH1A1LMNASMN1; SMN2 | |
| Sulfuric Acid SCHEMBL30207711 | 0.85 | TDP1 (0.43) | CA12CA9ALDH1A1TSHRPSIP1 | |
| Acetic Acid SCHEMBL9296547 | 0.83 | ALDH1A1 (0.38) | CA12CA9ALDH1A1LMNASMN1; SMN2 | |
| Trifluoromethanesulfonic Acid SCHEMBL28851200 | 0.83 | PTPN1 (0.36) | CA9ALDH1A1LMNASMN1; SMN2KDM4E | |
| SCHEMBL35092 | 0.82 | CYP3A4 (0.45) | ALDH1A1KDM4ECYP3A4GAAMAPT | |
| SCHEMBL8160080 | 0.82 | SMN1; SMN2 (0.35) | CA12CA9ALDH1A1LMNASMN1; SMN2 | |
| Acetic Acid SCHEMBL30421948 | 0.82 | ALDH1A1 (0.36) | CA12CA9ALDH1A1LMNASMN1; SMN2 | |
| Acetic Acid SCHEMBL5190618 | 0.82 | ALDH1A1 (0.36) | CA12CA9ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL8153480 | 0.81 | SMN1; SMN2 (0.34) | ALDH1A1LMNASMN1; SMN2KDM4EPKM | |
| SCHEMBL8158074 | 0.81 | SMN1; SMN2 (0.34) | ALDH1A1LMNASMN1; SMN2KDM4EPKM |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0023923-B1 | COMPOUNDS AND CATALYSTS CONTAINING PHOSPHORUS, ARSENIC OR NITROGEN AND THEIR USE IN HYDROCARBON CONVERSION PROCESSES | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1985-08-14 | — | — | EP | disclosed |
| US-4522932-A | Phosphine and phosphonium compounds and catalysts | EXXON RESEARCH & ENGINEERING CO. (US) | 1985-06-11 | — | — | US | disclosed |
| US-4473505-A | METAL COMPLEXES WITH CARBONYL LIGANDS; FISCHER-TROPSCH SYNTHESIS; HYDROFORMYLATION | EXXON RESEARCH AND ENGINEERING CO. (US) | 1984-09-25 | — | — | US | disclosed |
| EP-0023923-A4 | COMPOUNDS AND CATALYSTS CONTAINING PHOSPHORUS, ARSENIC OR NITROGEN AND THEIR USE IN HYDROCARBON CONVERSION PROCESSES. | EXXON RESEARCH ENGINEERING CO (US) | 1981-11-25 | — | — | EP | disclosed |
| EP-0023923-A1 | COMPOUNDS AND CATALYSTS CONTAINING PHOSPHORUS, ARSENIC OR NITROGEN AND THEIR USE IN HYDROCARBON CONVERSION PROCESSES. | EXXON RESEARCH ENGINEERING CO (US) | 1981-02-18 | — | — | EP | disclosed |
| WO-1980001689-A1 | PHOSPHINE AND PHOSPHONIUM COMPOUND AND CATALYST AND THEIR USE IN HYDROCARBON CONVERSION PROCESSES | EXXON RESEARCH ENGINEERING CO (US) | 1980-08-21 | — | — | WO | disclosed |