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 | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.58 |
| ▸ | PGR | P06401 | 7/20 | 0.54 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | MMP12 | P39900 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | MMP14 | P50281 | 1/20 | 0.44 |
| ▸ | MMP16 | P51512 | 1/20 | 0.44 |
| ▸ | PTGES | O14684 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9155323 | 0.93 | SOS1 (0.52) | LTA4HPGRHTTLMNASMN1; SMN2 | |
| SCHEMBL11052591 | 0.92 | PGR (0.50) | LTA4HPGRHTTLMNASMN1; SMN2 | |
| SCHEMBL30727537 | 0.92 | PKM (0.47) | LTA4HPGRHTTLMNASMN1; SMN2 | |
| SCHEMBL5435788 | 0.90 | HTT (0.47) | LTA4HPGRHTTLMNASMN1; SMN2 | |
| SCHEMBL7575945 | 0.88 | PKM (0.54) | LMNAMMP2MMP9MMP8MMP13 | |
| SCHEMBL12386988 | 0.88 | LTA4H (0.75) | LTA4HPGRHTTSMN1; SMN2CA4 | |
| SCHEMBL11052851 | 0.87 | HTT (0.63) | PGRNR3C1HTTLMNASMN1; SMN2 | |
| SCHEMBL450430 | 0.83 | PKM (0.50) | PGRHTTLMNASMN1; SMN2CA4 | |
| SCHEMBL2964758 | 0.82 | PKM (0.48) | PGRHTTLMNASMN1; SMN2CA4 | |
| SCHEMBL1089895 | 0.81 | PKM (0.52) | LTA4HPGRHTTLMNASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4451408-A | Process of preparing sulfonium organosulfonates | THE DOW CHEMICAL COMPANY (US) | 1984-05-29 | — | — | US | disclosed |
| US-4451409-A | Sulfonium organosulfonates | THE DOW CHEMICAL COMPANY (US) | 1984-05-29 | — | — | US | disclosed |