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 | |
|---|---|---|---|---|
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 10/20 | 0.44 |
| ▸ | MEN1 | O00255 | 9/20 | 0.44 |
| ▸ | RAB9A | P51151 | 8/20 | 0.44 |
| ▸ | NPC1 | O15118 | 7/20 | 0.44 |
| ▸ | CHAT | P28329 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | HTT | P42858 | 4/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.40 |
| ▸ | GFER | P55789 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | APOBEC3A | P31941 | 2/20 | 0.40 |
| ▸ | APOBEC3G | Q9HC16 | 2/20 | 0.40 |
| ▸ | ALPG | P10696 | 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 | |
|---|---|---|---|---|
| SCHEMBL2013580 | 0.88 | MEN1 (0.43) | RELAKMT2AMEN1RAB9ANPC1 | |
| SCHEMBL8740682 | 0.80 | MEN1 (0.62) | RELAKMT2AMEN1RAB9ANPC1 | |
| SCHEMBL6711964 | 0.75 | RAB9A (0.49) | RELAKMT2AMEN1RAB9ANPC1 | |
| Dimethyl Sulfone SCHEMBL28184206 | 0.70 | RELA (0.81) | RELAKMT2AMEN1RAB9ANPC1 | |
| SCHEMBL8740701 | 0.69 | MEN1 (0.56) | RELAKMT2AMEN1RAB9ANPC1 | |
| SCHEMBL8631682 | 0.69 | APP (0.46) | KMT2AMEN1RAB9ANPC1CHAT | |
| SCHEMBL8740680 | 0.69 | PPARG (0.40) | RELAKMT2AMEN1NPC1CHAT | |
| SCHEMBL9330367 | 0.69 | MEN1 (0.53) | RELAKMT2AMEN1RAB9ANPC1 | |
| Iodide SCHEMBL7758712 | 0.68 | APP (0.47) | KMT2AMEN1RAB9ANPC1CHAT | |
| SCHEMBL5676661 | 0.68 | MEN1 (0.69) | RELAKMT2AMEN1RAB9ANPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0783492-A4 | PROCESS FOR THE PREPARATION OF STILBAZOLIUM SALTS | MOLECULAR OPTOELECTRONICS CORP (US) | 1997-12-03 | — | — | EP | claimed |
| EP-0783492-A2 | PROCESS FOR THE PREPARATION OF STILBAZOLIUM SALTS | MOLECULAR OPTOELECTRONICS CORPORATION (US) | 1997-07-16 | — | — | EP | claimed |
| WO-1996008474-A1 | PROCESS FOR THE PREPARATION OF STILBAZOLIUM SALTS | MOLECULAR OPTOELECTRONICS CORPORATION (US) | 1996-03-21 | — | — | WO | claimed |
| US-5360911-A | From alkylated pyridinium salt and a benzaldehyde with a pyrrolidine catalyst | GENERAL ELECTRIC COMPANY (US) | 1994-11-01 | — | — | US | claimed |